 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer02_STD_B3LYPDBJ_augccpVDZ.in
 Output=21_phenylethanol_conformer02_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-143688.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    143689.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer02_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer02_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.283987000000      1.156120000000     -0.373456000000
  C                                                -1.655795000000     -0.121273000000     -0.366360000000
  H                                                -2.318612000000      1.484471000000      0.532599000000
  H                                                -1.860649000000     -0.525090000000     -1.361656000000
  C                                                -2.302509000000     -1.029603000000      0.677627000000
  C                                                -0.147700000000     -0.039181000000     -0.192779000000
  H                                                -2.124690000000     -0.633553000000      1.681464000000
  H                                                -1.888324000000     -2.037154000000      0.643744000000
  H                                                -3.377784000000     -1.087470000000      0.505904000000
  C                                                 0.491776000000      1.164959000000      0.083802000000
  C                                                 1.871834000000      1.212975000000      0.256826000000
  C                                                 2.632604000000      0.057673000000      0.146221000000
  C                                                 2.004188000000     -1.148889000000     -0.145245000000
  C                                                 0.627734000000     -1.194232000000     -0.312182000000
  H                                                -0.089333000000      2.074672000000      0.140318000000
  H                                                 2.351589000000      2.159628000000      0.471088000000
  H                                                 3.706229000000      0.095350000000      0.277421000000
  H                                                 2.588377000000     -2.054912000000     -0.244841000000
  H                                                 0.152296000000     -2.139482000000     -0.545858000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.423520   0.000000
     3  H    0.964339   1.955982   0.000000
     4  H    1.995550   1.093457   2.799333   0.000000
     5  C    2.425387   1.527485   2.518305   2.146730   0.000000
     6  C    2.454610   1.520270   2.749645   2.129924   2.526211
     7  H    2.729652   2.162378   2.417338   3.056479   1.093693
     8  H    3.374647   2.178297   3.549555   2.511719   1.089888
     9  H    2.646387   2.158617   2.781625   2.470982   1.090437
    10  C    2.813187   2.543443   2.863876   3.237208   3.602327
    11  C    4.203729   3.822662   4.208277   4.424001   4.757244
    12  C    5.064535   4.322630   5.167164   4.775210   5.081329
    13  C    4.873766   3.807934   5.106922   4.099481   4.386227
    14  C    3.742463   2.523625   4.070634   2.782301   3.097281
    15  H    2.433970   2.744577   2.339211   3.486008   3.850113
    16  H    4.817556   4.686465   4.719152   5.320678   5.645749
    17  H    6.118134   5.404876   6.188173   5.836236   6.126224
    18  H    5.836711   4.665482   6.100015   4.835438   5.081631
    19  H    4.101974   2.715618   4.516801   2.706240   2.958854
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.788289   0.000000
     8  H    2.778748   1.761484   0.000000
     9  H    3.467061   1.777140   1.771833   0.000000
    10  C    1.391179   3.554302   4.028888   4.497233   0.000000
    11  C    2.418379   4.627252   4.985161   5.736948   1.391691
    12  C    2.802569   5.046445   5.007456   6.129069   2.411042
    13  C    2.421639   4.544235   4.069787   5.421567   2.773760
    14  C    1.396316   3.444535   2.820436   4.089601   2.396053
    15  H    2.140732   3.721867   4.516295   4.576757   1.080953
    16  H    3.394396   5.413312   5.968220   6.585634   2.144356
    17  H    3.884837   6.041709   5.998399   7.185716   3.393267
    18  H    3.398823   5.286200   4.564072   6.090537   3.856334
    19  H    2.150797   3.523273   2.364266   3.830718   3.380983
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387706   0.000000
    13  C    2.399496   1.391277   0.000000
    14  C    2.768790   2.407676   1.387281   0.000000
    15  H    2.145291   3.387811   3.854312   3.377081   0.000000
    16  H    1.082693   2.145396   3.383318   3.851437   2.464696
    17  H    2.148142   1.082268   2.150284   3.389363   4.282850
    18  H    3.382926   2.148930   1.082624   2.142295   4.936795
    19  H    3.852283   3.385025   2.138053   1.083579   4.276484
                   16         17         18         19
    16  H    0.000000
    17  H    2.476651   0.000000
    18  H    4.281468   2.479108   0.000000
    19  H    4.934918   4.278166   2.456065   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.70D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4642690           1.1625108           0.9300830
 Leave Link  202 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3601437934 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0325626742 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.3275811192 Hartrees.
 Leave Link  301 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:              11.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.79D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer02_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:41:52 2021, MaxMem=  5368709120 cpu:               6.6 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.168613948942    
 DIIS: error= 2.08D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.168613948942     IErMin= 1 ErrMin= 2.08D-03
 ErrMax= 2.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.59D-03 BMatP= 4.59D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.08D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.234 Goal=   None    Shift=    0.000
 GapD=    0.234 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.67D-02 MaxDP=4.67D+00              OVMax= 1.74D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.36D-02    CP:  1.84D+00
 E= -386.172752381405     Delta-E=       -0.004138432464 Rises=F Damp=F
 DIIS: error= 2.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.172752381405     IErMin= 2 ErrMin= 2.78D-04
 ErrMax= 2.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.04D-05 BMatP= 4.59D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.78D-03
 Coeff-Com:  0.682D-02 0.993D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.680D-02 0.993D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.83D-03 MaxDP=1.75D-01 DE=-4.14D-03 OVMax= 2.99D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.48D-04    CP:  1.86D+00  1.04D+00
 E= -386.172721059864     Delta-E=        0.000031321541 Rises=F Damp=F
 DIIS: error= 2.90D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -386.172752381405     IErMin= 2 ErrMin= 2.78D-04
 ErrMax= 2.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-04 BMatP= 6.04D-05
 IDIUse=3 WtCom= 3.70D-01 WtEn= 6.30D-01
 Coeff-Com: -0.756D-02 0.585D+00 0.422D+00
 Coeff-En:   0.000D+00 0.602D+00 0.398D+00
 Coeff:     -0.279D-02 0.596D+00 0.407D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.04D-04 MaxDP=7.41D-03 DE= 3.13D-05 OVMax= 2.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.22D-04    CP:  1.86D+00  1.04D+00  8.93D-01
 E= -386.172812705335     Delta-E=       -0.000091645471 Rises=F Damp=F
 DIIS: error= 3.18D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.172812705335     IErMin= 4 ErrMin= 3.18D-05
 ErrMax= 3.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-06 BMatP= 6.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.423D-02 0.143D+00 0.140D+00 0.722D+00
 Coeff:     -0.423D-02 0.143D+00 0.140D+00 0.722D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=9.54D-05 MaxDP=3.62D-03 DE=-9.16D-05 OVMax= 3.32D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.89D-05    CP:  1.87D+00  1.04D+00  8.79D-01  1.14D+00
 E= -386.172813475557     Delta-E=       -0.000000770222 Rises=F Damp=F
 DIIS: error= 1.99D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.172813475557     IErMin= 5 ErrMin= 1.99D-05
 ErrMax= 1.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-07 BMatP= 1.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D-02 0.266D-01 0.406D-01 0.372D+00 0.562D+00
 Coeff:     -0.132D-02 0.266D-01 0.406D-01 0.372D+00 0.562D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.45D-05 MaxDP=6.55D-04 DE=-7.70D-07 OVMax= 2.27D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.81D-06    CP:  1.87D+00  1.04D+00  8.88D-01  1.11D+00  8.65D-01
 E= -386.172813769945     Delta-E=       -0.000000294388 Rises=F Damp=F
 DIIS: error= 5.45D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.172813769945     IErMin= 6 ErrMin= 5.45D-06
 ErrMax= 5.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-08 BMatP= 2.86D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.385D-03 0.284D-02 0.112D-01 0.139D+00 0.293D+00 0.555D+00
 Coeff:     -0.385D-03 0.284D-02 0.112D-01 0.139D+00 0.293D+00 0.555D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.63D-06 MaxDP=1.15D-04 DE=-2.94D-07 OVMax= 9.18D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.96D-06    CP:  1.87D+00  1.04D+00  8.89D-01  1.11D+00  9.00D-01
                    CP:  8.85D-01
 E= -386.172813791446     Delta-E=       -0.000000021502 Rises=F Damp=F
 DIIS: error= 2.97D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.172813791446     IErMin= 7 ErrMin= 2.97D-06
 ErrMax= 2.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-09 BMatP= 2.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.903D-04-0.151D-02 0.207D-02 0.382D-01 0.113D+00 0.351D+00
 Coeff-Com:  0.498D+00
 Coeff:     -0.903D-04-0.151D-02 0.207D-02 0.382D-01 0.113D+00 0.351D+00
 Coeff:      0.498D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=7.03D-05 DE=-2.15D-08 OVMax= 3.34D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.44D-07    CP:  1.87D+00  1.04D+00  8.89D-01  1.11D+00  8.94D-01
                    CP:  9.21D-01  7.64D-01
 E= -386.172813797105     Delta-E=       -0.000000005658 Rises=F Damp=F
 DIIS: error= 3.72D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.172813797105     IErMin= 8 ErrMin= 3.72D-07
 ErrMax= 3.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-10 BMatP= 5.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.954D-05-0.819D-03-0.240D-03 0.669D-03 0.158D-01 0.729D-01
 Coeff-Com:  0.184D+00 0.727D+00
 Coeff:      0.954D-05-0.819D-03-0.240D-03 0.669D-03 0.158D-01 0.729D-01
 Coeff:      0.184D+00 0.727D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=6.04D-07 MaxDP=3.35D-05 DE=-5.66D-09 OVMax= 4.90D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.81D-07    CP:  1.87D+00  1.04D+00  8.89D-01  1.11D+00  8.97D-01
                    CP:  9.24D-01  7.61D-01  9.39D-01
 E= -386.172813797223     Delta-E=       -0.000000000119 Rises=F Damp=F
 DIIS: error= 1.84D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.172813797223     IErMin= 9 ErrMin= 1.84D-07
 ErrMax= 1.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-11 BMatP= 1.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.965D-05-0.369D-03-0.228D-03-0.162D-02 0.316D-02 0.213D-01
 Coeff-Com:  0.741D-01 0.402D+00 0.502D+00
 Coeff:      0.965D-05-0.369D-03-0.228D-03-0.162D-02 0.316D-02 0.213D-01
 Coeff:      0.741D-01 0.402D+00 0.502D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.29D-07 MaxDP=5.64D-06 DE=-1.19D-10 OVMax= 1.80D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.27D-08    CP:  1.87D+00  1.04D+00  8.89D-01  1.11D+00  8.97D-01
                    CP:  9.24D-01  7.71D-01  9.78D-01  8.85D-01
 E= -386.172813797235     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 4.05D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.172813797235     IErMin=10 ErrMin= 4.05D-08
 ErrMax= 4.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-12 BMatP= 2.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.355D-05-0.109D-03-0.868D-04-0.850D-03 0.318D-03 0.433D-02
 Coeff-Com:  0.205D-01 0.132D+00 0.239D+00 0.605D+00
 Coeff:      0.355D-05-0.109D-03-0.868D-04-0.850D-03 0.318D-03 0.433D-02
 Coeff:      0.205D-01 0.132D+00 0.239D+00 0.605D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.70D-08 MaxDP=2.14D-06 DE=-1.15D-11 OVMax= 6.88D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.29D-08    CP:  1.87D+00  1.04D+00  8.89D-01  1.11D+00  8.97D-01
                    CP:  9.24D-01  7.72D-01  9.78D-01  9.05D-01  8.69D-01
 E= -386.172813797237     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 1.79D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -386.172813797237     IErMin=11 ErrMin= 1.79D-08
 ErrMax= 1.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-13 BMatP= 1.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.890D-06-0.191D-04-0.218D-04-0.305D-03-0.171D-03-0.180D-04
 Coeff-Com:  0.312D-02 0.277D-01 0.801D-01 0.370D+00 0.519D+00
 Coeff:      0.890D-06-0.191D-04-0.218D-04-0.305D-03-0.171D-03-0.180D-04
 Coeff:      0.312D-02 0.277D-01 0.801D-01 0.370D+00 0.519D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.26D-08 MaxDP=6.21D-07 DE=-2.05D-12 OVMax= 2.78D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.60D-09    CP:  1.87D+00  1.04D+00  8.89D-01  1.11D+00  8.97D-01
                    CP:  9.24D-01  7.73D-01  9.80D-01  9.07D-01  8.91D-01
                    CP:  6.93D-01
 E= -386.172813797262     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 4.40D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -386.172813797262     IErMin=12 ErrMin= 4.40D-09
 ErrMax= 4.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-14 BMatP= 2.96D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.737D-07 0.255D-05-0.123D-05-0.585D-04-0.134D-03-0.536D-03
 Coeff-Com: -0.896D-03-0.265D-02 0.111D-01 0.119D+00 0.271D+00 0.603D+00
 Coeff:      0.737D-07 0.255D-05-0.123D-05-0.585D-04-0.134D-03-0.536D-03
 Coeff:     -0.896D-03-0.265D-02 0.111D-01 0.119D+00 0.271D+00 0.603D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.79D-09 MaxDP=1.22D-07 DE=-2.46D-11 OVMax= 6.01D-08

 SCF Done:  E(RB3LYP) =  -386.172813797     A.U. after   12 cycles
            NFock= 12  Conv=0.38D-08     -V/T= 2.0060
 KE= 3.838752073610D+02 PE=-1.748387083626D+03 EE= 5.530114813481D+02
 Leave Link  502 at Thu Aug 12 19:43:24 2021, MaxMem=  5368709120 cpu:             727.3 elap:              91.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.99663180D+02

 Leave Link  801 at Thu Aug 12 19:43:24 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 4.33D-01 1.43D-01.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 5.45D-02 4.85D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 3.16D-03 1.09D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 1.76D-04 3.20D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 5.50D-06 3.97D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 1.31D-07 5.42D-05.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.72D-09 7.14D-06.
     10 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 1.71D-11 5.20D-07.
      6 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 1.95D-13 8.10D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   104 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.132200D+03
      2  0.172697D+01  0.109340D+03
      3  0.192291D+01  0.542010D+01  0.723350D+02
 Isotropic polarizability for W=    0.085645      104.62 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.979745D+02  0.509671D+01  0.731192D+01
      2  -0.436708D+02 -0.140754D+02 -0.134372D+02
      3  -0.543037D+02  0.897869D+01  0.612533D+01
      4  -0.290700D+02  0.736935D+02  0.223892D+02
      5   0.292756D+02  0.238411D+02 -0.520309D+01
      6   0.872652D+01  0.115261D+02 -0.159450D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.644051D+00  0.381849D+00  0.715127D+01
      2   0.105733D+02  0.944365D+01 -0.497546D+00
      3  -0.604853D+01 -0.415497D+02 -0.900968D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.145195D+01  0.249634D+02  0.249237D+02
      2  -0.219637D+02  0.136627D+02  0.491006D+02
      3  -0.341667D+02 -0.117364D+03 -0.151146D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.579975D+00 -0.236383D+01 -0.143106D+01
      2  -0.236383D+01 -0.141120D+01  0.197884D+01
      3  -0.143106D+01  0.197884D+01  0.621149D+00
 OR G Eigenvalues:    -3.2352    -0.8085     3.8336  Iso=     0.0700
 Eigenvectors:
   (1)   0.426342   0.859250  -0.282705
   (2)   0.651235  -0.074659   0.755195
   (3)   0.627795  -0.506079  -0.591403
 w=    0.085645 a.u., Optical Rotation Beta=      0.0700 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       27.19 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 2.07D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.48D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.62D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 3.25D-02 3.62D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 8.24D-04 6.67D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.40D-05 3.41D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 1.06D-07 3.71D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 2.75D-10 1.72D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 4.73D-13 6.81D-08.
      4 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 2.07D-15 5.72D-09.
      1 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 5.85D-16 3.85D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   215 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.04D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.04D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.54D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132200D+03  0.172697D+01  0.192291D+01
      2   0.172697D+01  0.109340D+03  0.542010D+01
      3   0.192291D+01  0.542010D+01  0.723350D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.644051D+00  0.381849D+00  0.715127D+01
      2   0.105733D+02  0.944365D+01 -0.497546D+00
      3  -0.604853D+01 -0.415497D+02 -0.900968D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.979745D+02  0.509671D+01  0.731192D+01
      2  -0.436708D+02 -0.140754D+02 -0.134372D+02
      3  -0.543037D+02  0.897869D+01  0.612533D+01
      4  -0.290700D+02  0.736935D+02  0.223892D+02
      5   0.292756D+02  0.238411D+02 -0.520309D+01
      6   0.872652D+01  0.115261D+02 -0.159450D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.280630D+01  0.242987D+01 -0.754958D+00  0.636993D+00 -0.235690D+01
      2   0.242987D+01 -0.132623D+01  0.114273D+01 -0.235690D+01  0.211730D+01
      3  -0.754958D+00  0.114273D+01  0.272725D+00  0.158215D+01 -0.234806D+01
                 6             7             8             9            10 
      1   0.158215D+01 -0.197278D+01  0.165356D+01 -0.310586D+00  0.513131D+01
      2  -0.234806D+01  0.165356D+01 -0.288049D+01 -0.902638D+00  0.210745D+01
      3  -0.204015D+01 -0.310586D+00 -0.902638D+00 -0.484608D+01  0.338357D-01
                11            12            13            14            15 
      1   0.210745D+01  0.338357D-01  0.781342D+01  0.444275D+01 -0.172909D+01
      2   0.196395D+01 -0.129349D+01  0.444275D+01  0.322523D+00  0.692950D+00
      3  -0.129349D+01  0.145704D+01 -0.172909D+01  0.692950D+00  0.510216D+01
                16            17            18            19            20 
      1  -0.524940D+00 -0.181130D+01  0.420659D+01 -0.678965D+00  0.482588D+00
      2  -0.181130D+01 -0.622475D+00  0.378765D+01  0.482588D+00 -0.572833D+00
      3   0.420659D+01  0.378765D+01  0.562390D+01  0.325101D+00 -0.275791D+00
                21            22            23            24            25 
      1   0.325101D+00  0.130077D+01 -0.952778D+00 -0.547999D+00  0.218409D+01
      2  -0.275791D+00 -0.952778D+00  0.258362D+01  0.115857D+01 -0.125518D+01
      3  -0.548623D+00 -0.547999D+00  0.115857D+01  0.179161D+01 -0.141743D+01
                26            27            28            29            30 
      1  -0.125518D+01 -0.141743D+01 -0.242191D+01 -0.794710D+00 -0.175480D+01
      2   0.301889D+01  0.232941D+01 -0.794710D+00 -0.610148D+00 -0.224541D+00
      3   0.232941D+01  0.452010D+01 -0.175480D+01 -0.224541D+00 -0.152596D+01
                31            32            33            34            35 
      1  -0.315446D+01 -0.177598D+01 -0.682485D+00 -0.461688D+01 -0.643414D+00
      2  -0.177598D+01 -0.126627D+01 -0.149362D+01 -0.643414D+00 -0.159697D+01
      3  -0.682485D+00 -0.149362D+01 -0.253201D+01 -0.316190D+01 -0.199359D+01
                36            37            38            39            40 
      1  -0.316190D+01  0.918175D+01  0.881039D+00  0.171966D+01 -0.348152D+01
      2  -0.199359D+01  0.881039D+00 -0.313722D+01  0.103172D+01 -0.380541D+01
      3  -0.780231D+01  0.171966D+01  0.103172D+01 -0.190752D+01  0.181427D+01
                41            42            43            44            45 
      1  -0.380541D+01  0.181427D+01  0.613043D+01  0.254046D+01 -0.229116D+01
      2   0.314813D+01  0.392462D+00  0.254046D+01  0.116354D+01 -0.310657D+01
      3   0.392462D+00 -0.359401D+01 -0.229116D+01 -0.310657D+01 -0.459460D+01
                46            47            48            49            50 
      1  -0.183903D+02 -0.278723D+01 -0.539468D+00 -0.368950D+01  0.201201D+01
      2  -0.278723D+01 -0.274199D+01 -0.850371D-01  0.201201D+01 -0.196730D+00
      3  -0.539468D+00 -0.850371D-01 -0.212715D+01  0.113529D+01  0.866079D-02
                51            52            53            54            55 
      1   0.113529D+01 -0.668666D+00  0.921672D+00 -0.371509D+01 -0.420484D+00
      2   0.866079D-02  0.921672D+00 -0.522297D-01 -0.612141D+00  0.160964D+00
      3  -0.550024D+00 -0.371509D+01 -0.612141D+00 -0.162583D+01  0.595625D+00
                56            57            58            59            60 
      1   0.160964D+00  0.595625D+00  0.106372D+01  0.140370D+00 -0.552235D+00
      2   0.621322D+00 -0.124663D+00  0.140370D+00  0.463843D+00  0.108263D+01
      3  -0.124663D+00  0.113817D+01 -0.552235D+00  0.108263D+01  0.237999D+01
                61            62            63            64            65 
      1   0.111757D+01  0.117254D+00 -0.636860D+00  0.609230D+00 -0.834990D+00
      2   0.117254D+00  0.143359D+01  0.687037D+00 -0.834990D+00  0.172675D+01
      3  -0.636860D+00  0.687037D+00  0.728201D+01 -0.302298D+00 -0.409883D+00
                66            67            68            69            70 
      1  -0.302298D+00 -0.181673D+01  0.538193D+00  0.136910D+00 -0.624378D+00
      2  -0.409883D+00  0.538193D+00 -0.761137D+01  0.689006D+00 -0.303252D+00
      3   0.614231D+00  0.136910D+00  0.689006D+00 -0.111113D+01  0.179045D+00
                71            72            73            74            75 
      1  -0.303252D+00  0.179045D+00 -0.144164D+02 -0.249826D+01  0.177426D+00
      2   0.211672D+00 -0.720075D+00 -0.249826D+01 -0.137600D+01  0.153972D+00
      3  -0.720075D+00  0.643593D+00  0.177426D+00  0.153972D+00 -0.122195D+01
                76            77            78            79            80 
      1  -0.466686D+00 -0.116363D+01 -0.215431D+00 -0.270608D+01 -0.572310D+00
      2  -0.116363D+01 -0.880009D+00 -0.511967D-01 -0.572310D+00 -0.606778D+00
      3  -0.215431D+00 -0.511967D-01  0.273568D+00 -0.105689D+01  0.361295D-01
                81            82            83            84            85 
      1  -0.105689D+01  0.546551D+01 -0.942015D+00  0.326429D+00  0.892712D+01
      2   0.361295D-01 -0.942015D+00 -0.379160D+01 -0.963797D+00  0.207309D+00
      3  -0.313758D-01  0.326429D+00 -0.963797D+00 -0.224999D+01 -0.418300D-01
                86            87            88            89            90 
      1   0.207309D+00 -0.418300D-01  0.292526D+01 -0.230416D+00 -0.188627D+01
      2   0.177959D+01 -0.465695D+00 -0.230416D+00 -0.131604D+01  0.355193D+01
      3  -0.465695D+00  0.214189D+01 -0.188627D+01  0.355193D+01  0.739505D+00
                91            92            93            94            95 
      1  -0.433768D+01 -0.449658D+00 -0.594513D+00  0.584267D+01  0.153904D+00
      2  -0.449658D+00  0.337190D+01 -0.202150D+00  0.153904D+00  0.115542D+01
      3  -0.594513D+00 -0.202150D+00  0.118656D+01 -0.197270D+00 -0.965546D+00
                96            97            98            99           100 
      1  -0.197270D+00  0.192896D+00 -0.103811D+01  0.226246D+01  0.647012D+01
      2  -0.965546D+00 -0.103811D+01 -0.758050D+00  0.405417D+01  0.376528D+00
      3   0.245405D+01  0.226246D+01  0.405417D+01  0.262916D+01 -0.690818D+00
               101           102           103           104           105 
      1   0.376528D+00 -0.690818D+00  0.995295D+00 -0.118555D+01 -0.122169D+01
      2   0.344060D+01  0.700846D-02 -0.118555D+01 -0.799887D-01 -0.355435D+00
      3   0.700846D-02  0.328528D+01 -0.122169D+01 -0.355435D+00 -0.737699D-01
               106           107           108           109           110 
      1  -0.209083D+00 -0.116569D+01  0.551312D+01 -0.341922D+01 -0.915876D-01
      2  -0.116569D+01  0.387249D+00  0.979300D-01 -0.915876D-01  0.304185D+01
      3   0.551312D+01  0.979300D-01  0.137138D+01 -0.511456D+00  0.900661D+00
               111           112           113           114           115 
      1  -0.511456D+00 -0.651938D+01 -0.418427D+00 -0.839444D+00 -0.223994D+01
      2   0.900661D+00 -0.418427D+00 -0.836545D+00  0.108598D+01 -0.166232D+00
      3   0.179587D+01 -0.839444D+00  0.108598D+01 -0.259175D+01  0.293987D+01
               116           117           118           119           120 
      1  -0.166232D+00  0.293987D+01  0.459805D+01  0.201727D+01  0.613142D+00
      2   0.160534D+01 -0.353002D+01  0.201727D+01 -0.348900D+01  0.454249D-01
      3  -0.353002D+01 -0.113381D+01  0.613142D+00  0.454249D-01 -0.153674D+01
               121           122           123           124           125 
      1  -0.746062D+01 -0.956523D+00  0.327404D+00 -0.562562D-01  0.964622D+00
      2  -0.956523D+00 -0.164601D+01  0.967847D+00  0.964622D+00  0.447979D+00
      3   0.327404D+00  0.967847D+00 -0.157589D+01 -0.935339D+00 -0.338339D+01
               126           127           128           129           130 
      1  -0.935339D+00 -0.287599D+01  0.211654D+01 -0.724923D-02  0.230181D+01
      2  -0.338339D+01  0.211654D+01 -0.258508D+01 -0.985732D-01 -0.284056D+01
      3  -0.253910D+01 -0.724923D-02 -0.985732D-01 -0.134517D+00 -0.221536D+00
               131           132           133           134           135 
      1  -0.284056D+01 -0.221536D+00 -0.326536D+00 -0.176359D-01  0.102294D+00
      2   0.709443D+01  0.433756D+00 -0.176359D-01  0.465169D+00  0.746798D-01
      3   0.433756D+00  0.651865D+00  0.102294D+00  0.746798D-01 -0.775920D-01
               136           137           138           139           140 
      1   0.291915D+01  0.305934D+01  0.754820D+00  0.278059D+01  0.422457D+01
      2   0.305934D+01  0.325842D+01  0.762736D+00  0.422457D+01  0.885733D+01
      3   0.754820D+00  0.762736D+00  0.529428D+00  0.862518D+00  0.169189D+01
               141           142           143           144           145 
      1   0.862518D+00  0.743377D+00  0.103210D+01  0.274967D+00  0.133821D+02
      2   0.169189D+01  0.103210D+01  0.184676D+01  0.308402D+00  0.385509D+00
      3   0.102674D+01  0.274967D+00  0.308402D+00  0.187069D+00  0.138285D+01
               146           147           148           149           150 
      1   0.385509D+00  0.138285D+01  0.283323D+00  0.158525D+01  0.337677D+00
      2   0.713000D+00  0.312023D-01  0.158525D+01  0.139904D+00  0.168152D+00
      3   0.312023D-01  0.885617D+00  0.337677D+00  0.168152D+00  0.921301D-01
               151           152           153           154           155 
      1   0.154847D+01  0.362291D+00  0.450242D-01  0.409637D+01 -0.365148D+01
      2   0.362291D+00  0.766387D-01  0.143208D-01 -0.365148D+01  0.363612D+01
      3   0.450242D-01  0.143208D-01  0.123570D+00 -0.315134D+00  0.268509D+00
               156           157           158           159           160 
      1  -0.315134D+00 -0.346054D+01  0.462655D+01  0.630910D+00 -0.220015D+00
      2   0.268509D+00  0.462655D+01 -0.769327D+01 -0.921137D+00  0.414432D+00
      3   0.439757D+00  0.630910D+00 -0.921137D+00 -0.747025D+00  0.514957D-01
               161           162           163           164           165 
      1   0.414432D+00  0.514957D-01 -0.208639D+01 -0.196717D+01 -0.458192D+00
      2  -0.103676D+01 -0.178061D+00 -0.196717D+01 -0.214382D+01 -0.666043D+00
      3  -0.178061D+00 -0.110851D+00 -0.458192D+00 -0.666043D+00 -0.352230D+00
               166           167           168           169           170 
      1  -0.189627D+01 -0.247514D+01 -0.578124D+00 -0.676535D+00 -0.802855D+00
      2  -0.247514D+01 -0.745190D+01 -0.177120D+01 -0.802855D+00 -0.178703D+01
      3  -0.578124D+00 -0.177120D+01 -0.109823D+01 -0.163346D+00 -0.515175D+00
               171 
      1  -0.163346D+00
      2  -0.515175D+00
      3  -0.358752D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.180351D+00 -0.529769D+00  0.766622D+00 -0.306852D+00  0.862570D-01
      2  -0.765571D+00 -0.417516D+00  0.458141D+01 -0.159729D+01  0.432422D+01
      3   0.284827D+01 -0.964307D+01  0.139069D+01  0.129957D+01  0.638425D+01
                 6             7             8             9            10 
      1  -0.459319D+00 -0.498576D+01  0.696224D+01  0.868531D+01 -0.262521D+01
      2   0.392273D+01 -0.956691D+00  0.461784D+01  0.118167D+02  0.196601D+01
      3  -0.560928D+01  0.416395D-01 -0.646666D+01 -0.297251D+01  0.752453D+01
                11            12            13            14            15 
      1   0.305372D-01  0.108221D+01 -0.120561D+01 -0.634255D+00  0.393745D+00
      2   0.218848D+01 -0.241168D+01  0.558507D+01  0.110051D+01 -0.811286D+01
      3   0.340563D+01 -0.592024D+00  0.143976D+02 -0.699363D+01  0.143488D+01
                16            17            18            19            20 
      1   0.486890D+01  0.516764D+01 -0.806294D+00 -0.509285D+00  0.436099D+00
      2  -0.163740D+02 -0.847599D+01 -0.904418D+01 -0.211135D+01  0.929230D+00
      3  -0.118481D+01 -0.186877D+01  0.749195D+01  0.273164D+01 -0.384328D+00
                21            22            23            24            25 
      1   0.583576D+00  0.116282D+01 -0.320477D+01 -0.422149D+01  0.352615D+01
      2   0.125867D+01  0.905977D+00 -0.347376D+01 -0.484523D+01  0.809867D+00
      3  -0.174415D+00  0.420094D+00  0.540762D+01  0.293586D+01 -0.776972D-01
                26            27            28            29            30 
      1  -0.320385D+01 -0.955095D+01 -0.746315D+00  0.120166D+01 -0.610616D+00
      2  -0.660942D+01 -0.116446D+02  0.174550D+01  0.412938D+00  0.331483D+01
      3   0.771334D+01  0.559881D+01 -0.175938D+01 -0.365427D+01 -0.352179D+00
                31            32            33            34            35 
      1   0.129184D+01  0.768128D+00 -0.998845D+00 -0.123477D+01  0.241936D+01
      2  -0.387361D+00  0.130601D+01  0.467744D+01  0.197283D+01  0.321750D+01
      3  -0.210078D+01 -0.126636D+01 -0.319346D+01 -0.123946D+00 -0.320672D+01
                36            37            38            39            40 
      1  -0.122118D+01  0.430010D+01 -0.224767D+01 -0.261449D+01  0.591525D+00
      2   0.129794D+02 -0.126025D+02 -0.444828D+01  0.723633D+01 -0.664123D+01
      3  -0.411100D+01 -0.874229D+01 -0.144129D+02  0.412087D+00 -0.874097D+01
                41            42            43            44            45 
      1   0.739445D+01 -0.707255D+01 -0.131404D+01 -0.291762D+01 -0.733690D+01
      2   0.133433D-01  0.843752D+01  0.238832D+01  0.788580D+01  0.132973D+02
      3   0.175528D+02 -0.354538D+00  0.241297D+01 -0.791969D+00 -0.705734D+01
                46            47            48            49            50 
      1   0.114700D+01 -0.913668D+00 -0.594912D+00 -0.382793D+01 -0.163280D+01
      2   0.162191D-01 -0.214122D+01 -0.685888D+00 -0.182519D+01  0.682860D+00
      3  -0.810757D+01  0.623126D+01  0.752636D+00  0.167457D+02 -0.171379D+00
                51            52            53            54            55 
      1   0.156640D+01  0.116646D+01  0.109612D+02  0.219860D+01  0.938913D+00
      2   0.110355D+01 -0.135708D+02  0.782967D+00  0.137539D+00 -0.178447D+01
      3   0.267083D+00 -0.211532D+00  0.228643D+01 -0.123196D+01  0.100155D+01
                56            57            58            59            60 
      1   0.108382D+01  0.101752D+01  0.133413D+00  0.256479D+01  0.217158D+01
      2  -0.217969D-01 -0.265033D+01 -0.895933D-01 -0.291088D+01 -0.592500D+01
      3   0.119925D+01 -0.773984D+00  0.121697D+01  0.965472D+00  0.284553D+01
                61            62            63            64            65 
      1  -0.468443D+00  0.534845D+01  0.974701D+01 -0.198548D+01  0.158286D+01
      2  -0.263489D+01 -0.256385D+01 -0.182535D+02 -0.295020D+00  0.129358D+01
      3  -0.947421D+00  0.406281D+01  0.274497D+01 -0.675424D+01  0.623237D+01
                66            67            68            69            70 
      1   0.162264D+01  0.142746D+01 -0.583287D+01 -0.307115D+01  0.649025D+00
      2  -0.923981D+00  0.133949D+01 -0.257537D+01  0.199728D+01 -0.141348D+01
      3   0.170276D+00  0.837734D+01 -0.214327D+02  0.142299D+01  0.844188D+00
                71            72            73            74            75 
      1   0.376570D+00  0.346643D+00 -0.428410D+00 -0.848888D+00 -0.194158D+01
      2   0.128646D+01 -0.147408D+01  0.749320D+01  0.784920D+00  0.683351D+01
      3   0.518237D+00 -0.237899D+01  0.937446D+01 -0.498827D+01  0.449478D+00
                76            77            78            79            80 
      1  -0.617490D+00 -0.663260D+00 -0.365171D+00 -0.129245D+01  0.706558D+00
      2   0.116660D+01  0.490829D+00 -0.407818D+00  0.231179D+01 -0.354953D+00
      3  -0.691646D+00 -0.196156D+01 -0.155290D+00  0.223584D+00 -0.961025D+00
                81            82            83            84            85 
      1   0.826190D-01 -0.136622D+01 -0.213011D+00  0.355983D+01 -0.889601D+00
      2   0.512768D+00  0.281130D+01 -0.241955D+00 -0.142820D+01  0.367186D+01
      3   0.155598D+01  0.634351D+01  0.500011D-01  0.209045D+01  0.593186D+01
                86            87            88            89            90 
      1  -0.843230D-01 -0.285886D+01  0.572894D+01  0.227466D+01  0.337842D+00
      2   0.128098D+01  0.231840D+00 -0.126861D+02  0.176142D+00 -0.411525D+00
      3  -0.542038D+01  0.226543D+00  0.167263D+01 -0.400132D+00 -0.528084D+01
                91            92            93            94            95 
      1   0.168918D+01  0.686978D+00 -0.228659D+01  0.863400D+00  0.182157D+00
      2  -0.524847D+00  0.137890D+01 -0.186152D+00  0.943017D+00 -0.307564D+01
      3  -0.293171D+01 -0.110937D+02 -0.241366D+01  0.523817D+01 -0.231238D+01
                96            97            98            99           100 
      1  -0.354418D+01 -0.569828D+01  0.168707D+01 -0.148368D+01  0.128486D+00
      2   0.716123D+01 -0.788504D+01  0.100880D+02  0.387622D+01 -0.251080D+00
      3   0.195158D+01  0.141516D-01  0.962142D+00 -0.547015D+01  0.660824D+00
               101           102           103           104           105 
      1  -0.843225D+00 -0.680654D+00 -0.954134D+00 -0.302022D+01  0.325241D+01
      2  -0.297782D+00  0.965278D+01 -0.375993D+01 -0.295665D+00 -0.579520D+00
      3  -0.786356D+01  0.371611D+00  0.130303D+02  0.347384D+01  0.203768D+01
               106           107           108           109           110 
      1  -0.837355D+00  0.115338D+02  0.258892D+01 -0.146873D+01 -0.285420D+00
      2   0.883623D+01  0.359865D+00  0.289883D+01 -0.749133D+00  0.278417D+01
      3   0.364005D+01  0.141627D+01  0.112644D+01 -0.286198D+01 -0.143139D+02
               111           112           113           114           115 
      1   0.328465D+01 -0.150182D+01  0.517544D+00 -0.302885D+01  0.677756D+01
      2   0.204422D+01 -0.880492D+00  0.343964D+01 -0.684978D+01 -0.578955D+01
      3  -0.250597D+01  0.424829D+01 -0.127249D+01 -0.246106D+01 -0.468932D+00
               116           117           118           119           120 
      1   0.268604D+01  0.132112D+01  0.135736D+00  0.114425D+01 -0.311411D+01
      2  -0.104376D+02 -0.377986D+01  0.342877D+01  0.145334D+01 -0.158075D+01
      3  -0.477999D+01  0.401224D+01  0.144079D+01 -0.629863D+00 -0.195447D+01
               121           122           123           124           125 
      1   0.164220D+01 -0.820919D+00 -0.286268D+01 -0.574706D+01  0.215054D+01
      2   0.128896D+01 -0.169123D+01 -0.109824D+01 -0.136138D+02 -0.113417D+01
      3   0.194926D+00  0.794948D+01  0.106480D+00 -0.449030D+01  0.153394D+00
               126           127           128           129           130 
      1  -0.121063D+01  0.428398D+00 -0.412430D+00  0.151056D+01  0.281250D+00
      2  -0.281751D+01  0.128933D+01 -0.388605D+00  0.257070D+00 -0.418729D+00
      3   0.597002D+01 -0.955327D+01  0.416416D+01 -0.191478D-01  0.776753D+01
               131           132           133           134           135 
      1  -0.311867D-01 -0.333196D+01 -0.562574D+00  0.193825D+01  0.267267D+00
      2   0.995798D+00 -0.900838D+00 -0.156192D+01  0.389649D+00 -0.130625D+00
      3  -0.668500D+01 -0.799530D+00 -0.725177D+00  0.172368D+00  0.661088D-01
               136           137           138           139           140 
      1  -0.241277D+00 -0.159342D-01 -0.191189D+01 -0.127066D+00  0.522049D+00
      2   0.577125D+00  0.919295D+00  0.210461D+01  0.767190D+00  0.273519D+01
      3  -0.102402D+01 -0.340793D+01 -0.569103D+00 -0.209325D+01 -0.132802D+02
               141           142           143           144           145 
      1  -0.402211D+01  0.603635D+00  0.202130D+01 -0.493041D+00 -0.100719D+00
      2   0.323425D+01 -0.533196D+00 -0.216707D+00  0.495471D+00  0.200564D+01
      3  -0.231286D+01 -0.412865D+00 -0.255006D+01 -0.271191D+00  0.197979D+00
               146           147           148           149           150 
      1   0.461555D+00 -0.183784D+00  0.260685D+00  0.611475D-02 -0.400221D+00
      2  -0.707920D-01  0.613411D+01  0.128395D+01  0.341801D+00  0.390475D+00
      3  -0.524496D+01  0.152010D+00 -0.383830D+01 -0.257828D+00 -0.421970D+00
               151           152           153           154           155 
      1   0.555275D-01  0.490544D+00 -0.125217D-01  0.313448D+00 -0.604839D+00
      2  -0.277608D+01  0.535051D-01  0.584554D+00  0.343989D+00 -0.374396D+00
      3  -0.126524D+01 -0.552105D+00 -0.268703D+00  0.118428D+01 -0.461108D+01
               156           157           158           159           160 
      1   0.203676D+01  0.205781D+00  0.177741D+00 -0.365998D+01 -0.833159D+00
      2   0.227708D+01  0.402380D+00 -0.101251D+01 -0.297875D+01 -0.731477D+00
      3  -0.548199D-01 -0.309210D+01  0.122054D+02  0.108905D+01 -0.757537D+00
               161           162           163           164           165 
      1   0.165173D+01 -0.304544D+00  0.570739D+00  0.287086D+00 -0.152575D+01
      2   0.619943D+00 -0.242524D+00 -0.163134D+01 -0.103255D+01  0.340429D+00
      3   0.197476D+01  0.247034D+00  0.756186D+01  0.429401D+01  0.910033D+00
               166           167           168           169           170 
      1   0.608318D+00  0.995430D+00 -0.365481D+01  0.462477D+00  0.241665D+01
      2  -0.175468D+01 -0.167612D+01  0.541736D+00 -0.189309D+01 -0.547735D+00
      3   0.778979D+01  0.797790D+01  0.195649D+01  0.181623D+01  0.231768D+01
               171 
      1  -0.445083D+00
      2   0.233293D+00
      3   0.229135D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.196769D+02 -0.488629D+01  0.307362D+01 -0.662510D+01  0.265101D+01
      2  -0.784704D+01 -0.890596D+00 -0.116617D+01 -0.102165D+01  0.872819D+01
      3  -0.118298D+02  0.577689D+01 -0.190744D+01  0.764675D+01 -0.113792D+02
      4  -0.169539D+02  0.189919D+02 -0.631752D+01  0.222553D+02 -0.178236D+02
      5   0.538014D+01 -0.563747D+01  0.817248D+01 -0.103436D+02  0.118732D+02
      6  -0.300203D+01  0.219471D+01 -0.278944D+01  0.385872D+01 -0.100696D+02
                 6             7             8             9            10 
      1   0.592435D+00  0.328380D+01  0.234344D+01  0.158655D+01  0.103921D+02
      2  -0.295746D+01 -0.197648D+01 -0.527497D+01 -0.700235D+01 -0.303725D+01
      3   0.236503D+01 -0.130732D+01  0.293153D+01  0.541581D+01 -0.735482D+01
      4   0.120721D+02 -0.107762D+02  0.148508D+02  0.434634D+01 -0.796201D+01
      5   0.624989D+01  0.648598D+01  0.390942D+01  0.241263D+02  0.113357D+00
      6   0.369960D+01  0.147687D+01  0.582914D-01 -0.139887D+02  0.195477D+01
                11            12            13            14            15 
      1   0.270857D+01 -0.239793D+01  0.222069D+01 -0.875758D+01  0.428893D+01
      2   0.424788D+00  0.101856D+01  0.565695D+01  0.453963D+01 -0.142132D+01
      3  -0.313335D+01  0.137936D+01 -0.787764D+01  0.421796D+01 -0.286761D+01
      4  -0.191536D+02  0.463852D+01 -0.296384D+02  0.295153D+01 -0.246036D+01
      5   0.522885D+01 -0.138591D+02  0.128283D+02 -0.244726D+01 -0.198225D+02
      6   0.324122D+01 -0.313581D+01  0.174826D+01  0.648548D+01 -0.100024D+02
                16            17            18            19            20 
      1   0.161973D+02  0.466473D+01 -0.164320D+01  0.350070D+01 -0.354269D+01
      2   0.659371D+00  0.432511D+01  0.917200D+01 -0.157100D+01  0.109414D+01
      3  -0.168567D+02 -0.898983D+01 -0.752880D+01 -0.192969D+01  0.244855D+01
      4   0.135868D+02  0.514516D+01 -0.202625D+02 -0.436877D+01  0.252831D+01
      5  -0.236645D+02 -0.187364D+02 -0.230732D+02 -0.230841D+01  0.201088D+01
      6  -0.125767D+02 -0.493332D+01 -0.396126D+01  0.147380D+01 -0.919350D-01
                21            22            23            24            25 
      1  -0.263939D+01 -0.404535D+01 -0.301944D+01 -0.150377D+01 -0.520681D+01
      2   0.547764D+00  0.325965D+00  0.589787D+01  0.327746D+01  0.230319D+01
      3   0.209162D+01  0.371938D+01 -0.287843D+01 -0.177368D+01  0.290362D+01
      4   0.268743D+01  0.676798D+01 -0.120844D+02 -0.612088D+01  0.863262D+01
      5   0.258564D+01  0.304579D+01 -0.564327D+01 -0.836312D+01  0.803233D+01
      6  -0.764066D+00 -0.175742D+01  0.515158D+01  0.730846D+01 -0.438752D+01
                26            27            28            29            30 
      1  -0.107102D+01 -0.279918D+01  0.561416D+01  0.127970D+01  0.433948D+01
      2   0.350625D+01  0.205793D+01 -0.687253D+01 -0.124210D+01 -0.466029D+01
      3  -0.243523D+01  0.741247D+00  0.125838D+01 -0.376022D-01  0.320812D+00
      4  -0.146938D+02 -0.117188D+02  0.488351D+01  0.708196D+01  0.238095D+01
      5  -0.112135D+02 -0.212572D+02  0.101466D+02  0.235138D+01  0.135446D+02
      6   0.915441D+01  0.133733D+02  0.264836D+01  0.424996D-01  0.180734D+01
                31            32            33            34            35 
      1   0.141353D+01 -0.232192D+01 -0.310167D+01  0.248050D+01 -0.288941D+01
      2  -0.305562D+01 -0.254652D+00 -0.448547D+00 -0.893769D+01 -0.270888D+01
      3   0.164209D+01  0.257657D+01  0.355022D+01  0.645720D+01  0.559829D+01
      4   0.106595D+02  0.605712D+01  0.691842D+01  0.373752D+01  0.730590D+01
      5   0.396148D+01  0.650954D+01  0.111155D+02  0.200254D+02  0.901805D+01
      6   0.273819D+01  0.481554D+01  0.957693D+01  0.571297D+01  0.660559D+01
                36            37            38            39            40 
      1  -0.104605D+02 -0.607190D+02 -0.169917D+02 -0.930992D+00 -0.668032D+01
      2  -0.149402D+02  0.255449D+02  0.155033D+02  0.369756D+01  0.591324D+01
      3   0.254007D+02  0.351741D+02  0.148843D+01 -0.276656D+01  0.767084D+00
      4   0.942482D+01 -0.181487D+02  0.136722D+02 -0.556543D+01  0.194748D+02
      5   0.336819D+02 -0.301304D+01 -0.309911D+01  0.117665D+02 -0.970565D+01
      6   0.107197D+02 -0.473360D+01 -0.692669D+01  0.464997D+01 -0.674908D+01
                41            42            43            44            45 
      1   0.212951D+02  0.226284D+01 -0.145726D+02 -0.757998D+00  0.130302D+02
      2  -0.227979D+02  0.688416D+01  0.697275D+01  0.392837D+01  0.800077D+01
      3   0.150277D+01 -0.914700D+01  0.759989D+01 -0.317037D+01 -0.210310D+02
      4  -0.825239D+01 -0.271233D+01 -0.177870D+02 -0.548845D+01  0.199749D+02
      5  -0.600532D+01  0.169249D+02  0.164180D+02  0.166946D+02  0.176936D+02
      6  -0.958108D+00  0.712283D+01  0.915312D+01  0.723652D+01 -0.190135D+01
                46            47            48            49            50 
      1  -0.186789D+02 -0.787300D-01  0.405093D+00  0.855600D+00 -0.398346D+01
      2   0.605282D+01  0.247313D-01 -0.369350D+00 -0.202923D+01  0.107100D+02
      3   0.126261D+02  0.539986D-01 -0.357428D-01  0.117363D+01 -0.672655D+01
      4   0.136855D+02  0.649152D+01  0.751108D+00 -0.808543D+01 -0.146953D+01
      5  -0.752067D+00  0.214344D+00  0.139908D+01 -0.371369D+01 -0.515304D-01
      6  -0.728205D+00 -0.768417D-01  0.184517D+00 -0.134654D+01  0.245178D+01
                51            52            53            54            55 
      1   0.483767D+00 -0.843203D+01 -0.766862D+00 -0.912970D+01  0.416640D+01
      2   0.418555D+01  0.172422D+01  0.112207D+01 -0.368024D+01 -0.411885D+01
      3  -0.466932D+01  0.670781D+01 -0.355209D+00  0.128099D+02 -0.475538D-01
      4  -0.775469D+00 -0.291757D+01 -0.202969D+01  0.324089D+01  0.674488D+00
      5   0.245378D+01  0.405901D+01  0.258105D+01  0.595733D+00 -0.246015D+01
      6  -0.330381D+01 -0.993531D+00  0.629234D+01 -0.252146D+01  0.229604D+00
                56            57            58            59            60 
      1   0.102273D+01 -0.625305D+01 -0.239043D+01 -0.456799D+01 -0.248303D+01
      2  -0.135505D+01  0.517161D+00  0.228755D+01  0.104199D+01 -0.576011D+01
      3   0.332326D+00  0.573589D+01  0.102876D+00  0.352601D+01  0.824314D+01
      4  -0.214162D+01 -0.409211D+00  0.574636D-02 -0.330170D+01 -0.538927D+01
      5   0.918230D+00 -0.505441D-01  0.436867D+01 -0.409768D+01 -0.108207D+02
      6   0.176616D+01 -0.119554D+01 -0.240155D+00  0.204849D+01  0.356198D+01
                61            62            63            64            65 
      1  -0.591339D+01 -0.895209D+00 -0.166466D+02 -0.123684D+01  0.930379D+01
      2   0.437469D+01 -0.423810D+01 -0.174692D+02  0.409022D+01 -0.993881D+01
      3   0.153870D+01  0.513331D+01  0.341158D+02 -0.285338D+01  0.635021D+00
      4  -0.237964D+01 -0.767469D+01 -0.575172D+01  0.134044D+01 -0.309289D+01
      5   0.815160D+01 -0.331866D+01 -0.311061D+02  0.182719D+01 -0.264607D+00
      6   0.617771D+00  0.405085D+01 -0.717003D+01 -0.548469D-01  0.297904D+01
                66            67            68            69            70 
      1  -0.975218D+00  0.963015D+01 -0.251356D+02  0.220856D+01  0.147916D+01
      2  -0.246636D-01 -0.676854D+01  0.379309D+02 -0.135023D+01 -0.680767D+00
      3   0.999881D+00 -0.286162D+01 -0.127953D+02 -0.858330D+00 -0.798391D+00
      4   0.134667D+01  0.399505D+01  0.299413D+02 -0.288313D+01  0.228073D+01
      5  -0.199087D+01 -0.320483D+01 -0.600413D+00  0.420901D+01  0.588504D+00
      6  -0.252082D+01  0.800054D+00 -0.101072D+02  0.620812D+01 -0.137222D+01
                71            72            73            74            75 
      1   0.167090D+01 -0.530945D+01  0.879565D+02  0.114228D+02  0.192973D+01
      2  -0.240490D+00  0.254179D+01 -0.421957D+02 -0.282130D+01  0.871448D+00
      3  -0.143041D+01  0.276766D+01 -0.457609D+02 -0.860148D+01 -0.280118D+01
      4  -0.264022D+00  0.154656D+01  0.332406D+02  0.159264D+02 -0.126641D+00
      5   0.214661D+01 -0.227875D+01 -0.106711D+02 -0.192879D+01  0.111167D+02
      6   0.638441D+01 -0.117298D+01 -0.794945D+00 -0.162930D+01  0.358782D+01
                76            77            78            79            80 
      1   0.156497D+01  0.500100D+01  0.317823D+00  0.115662D+02  0.128322D+01
      2   0.177223D+01  0.406945D+00 -0.647390D+00 -0.485870D+01 -0.218115D+00
      3  -0.333720D+01 -0.540795D+01  0.329567D+00 -0.670753D+01 -0.106511D+01
      4   0.127204D+02  0.703572D+01  0.436269D+00  0.523100D+01  0.340503D+01
      5   0.631554D+00 -0.202923D+00 -0.721107D+00  0.100497D+02  0.446672D+00
      6  -0.818510D+00 -0.693458D+00  0.925095D+00  0.301487D+01  0.856241D+00
                81            82            83            84            85 
      1   0.595838D+01  0.592315D+01  0.153792D+02  0.499965D+01 -0.294069D+01
      2  -0.517689D+01 -0.616754D+01 -0.101875D+02 -0.888829D+00  0.122031D+02
      3  -0.781486D+00  0.244399D+00 -0.519166D+01 -0.411082D+01 -0.926237D+01
      4   0.125377D+01  0.432955D+01 -0.139521D+02 -0.710994D-01  0.164438D+01
      5   0.385316D+00  0.201202D+01 -0.380254D+00 -0.174370D+01  0.241177D+01
      6   0.561230D+00  0.303809D+01 -0.260064D+01 -0.747722D+01  0.492356D+01
                86            87            88            89            90 
      1   0.111538D+01  0.199780D+01 -0.299277D+00  0.409028D+01 -0.151756D+02
      2  -0.676109D+01 -0.223143D+01  0.288673D+01 -0.599399D+01  0.292007D+01
      3   0.564571D+01  0.233631D+00 -0.258745D+01  0.190372D+01  0.122555D+02
      4   0.145160D+02  0.167561D+01 -0.347970D+00 -0.238161D+01  0.345666D+01
      5   0.149864D+01 -0.679106D+00  0.440188D+01  0.373057D+01 -0.196904D+01
      6  -0.286589D+01  0.709636D+01 -0.270743D+01  0.145370D+02 -0.268776D+00
                91            92            93            94            95 
      1   0.327031D+01 -0.220146D+02 -0.212824D+01  0.271278D+02  0.102088D+02
      2  -0.261328D+01  0.136667D+02  0.653842D+00 -0.262013D+02 -0.146122D+02
      3  -0.657033D+00  0.834793D+01  0.147440D+01 -0.926484D+00  0.440347D+01
      4  -0.108461D+02 -0.547770D+01 -0.516250D+01  0.716240D+01 -0.505304D+01
      5  -0.458593D+01 -0.477339D+01 -0.266565D+01 -0.870986D+00 -0.655006D+01
      6  -0.577311D+01 -0.288338D+01  0.569399D+01 -0.544536D+01 -0.944103D+01
                96            97            98            99           100 
      1   0.157561D+01  0.264274D+01 -0.342673D+01 -0.536900D+01 -0.107909D+02
      2  -0.643494D+01 -0.654366D+01 -0.470444D+01 -0.565334D+01  0.598913D+01
      3   0.485932D+01  0.390091D+01  0.813117D+01  0.110223D+02  0.480173D+01
      4  -0.642784D+01 -0.526638D+01 -0.963213D+01  0.150812D+02 -0.180594D+01
      5   0.149958D+02  0.146699D+02  0.153522D+02  0.806601D+01 -0.914839D+01
      6   0.661297D+01  0.564874D+01  0.147547D+02  0.416070D+01  0.521845D+00
               101           102           103           104           105 
      1  -0.847595D+00 -0.811501D+01  0.460840D+01 -0.207602D+02 -0.619473D+01
      2   0.763345D+00  0.413030D+01 -0.248817D+01  0.183903D+02  0.945753D+01
      3   0.842508D-01  0.398471D+01 -0.212024D+01  0.236992D+01 -0.326280D+01
      4   0.255928D+02  0.361098D+00 -0.223288D+02 -0.646819D+01 -0.360271D+01
      5   0.271654D+00  0.215940D+02 -0.106081D+02 -0.249969D+01 -0.128814D+01
      6   0.813362D+00  0.152505D+01 -0.312257D+01  0.373491D+01 -0.660884D+01
               106           107           108           109           110 
      1  -0.967481D+01 -0.662316D+01  0.143295D+02  0.288689D+01  0.230978D+02
      2   0.349247D+01  0.510831D+01 -0.184959D+02 -0.534071D+01 -0.132084D+02
      3   0.618234D+01  0.151485D+01  0.416640D+01  0.245381D+01 -0.988932D+01
      4  -0.113674D+02  0.940869D+00 -0.831305D+00  0.186661D+02  0.231973D+01
      5   0.360569D+02  0.205349D+00  0.633545D+01 -0.167932D+00  0.447824D+01
      6   0.755072D-01  0.620214D+01 -0.429349D+01  0.270991D+01 -0.241362D+01
               111           112           113           114           115 
      1   0.530322D+01 -0.270850D+02  0.585766D+01  0.159639D+01 -0.813384D+01
      2   0.708095D+00  0.270292D+02 -0.113045D+02 -0.172455D+01  0.876564D+01
      3  -0.601131D+01  0.558115D-01  0.544688D+01  0.128161D+00 -0.631803D+00
      4   0.513857D+01  0.608982D+01  0.129150D+02  0.894121D+01  0.236086D+01
      5   0.445391D+01 -0.312487D+01  0.795341D+01 -0.143488D+02  0.190613D+02
      6  -0.770220D+01  0.676080D+01 -0.574617D+01  0.746189D+01 -0.723477D+01
               116           117           118           119           120 
      1   0.650770D+01  0.588336D+00  0.694792D+01 -0.130048D+02  0.881640D-01
      2  -0.868606D+01 -0.714011D+01 -0.612594D+01  0.969763D+01 -0.246509D+01
      3   0.217836D+01  0.655177D+01 -0.821979D+00  0.330714D+01  0.237692D+01
      4   0.731228D+01 -0.155432D+02 -0.965868D+01 -0.197299D+02 -0.427043D+01
      5  -0.153023D+02 -0.782038D+01  0.611324D+00 -0.406618D+01 -0.502006D+01
      6   0.139592D+02 -0.733719D+00 -0.297678D+01 -0.291545D+01  0.672201D+01
               121           122           123           124           125 
      1   0.395305D+01  0.671274D+01  0.457175D+01  0.178649D+01  0.127841D+01
      2  -0.107151D+02 -0.100783D+02 -0.618509D+01 -0.423172D+01 -0.703955D+01
      3   0.676207D+01  0.336560D+01  0.161333D+01  0.244523D+01  0.576114D+01
      4   0.116180D+02 -0.134693D+02 -0.215142D+01  0.236408D+00 -0.475767D+01
      5  -0.141874D+00 -0.223211D+01 -0.721402D+00 -0.124898D+00 -0.546233D+01
      6  -0.547864D+01 -0.955139D+01  0.397850D+01  0.350939D+01  0.119851D+02
               126           127           128           129           130 
      1  -0.158793D+02 -0.429690D+01  0.776785D+01  0.841951D-01  0.881860D+01
      2   0.707074D+00  0.657201D+01 -0.110522D+02 -0.342311D+00 -0.120102D+02
      3   0.151722D+02 -0.227511D+01  0.328432D+01  0.258116D+00  0.319158D+01
      4  -0.641220D+01 -0.769453D+01  0.757995D+01  0.562474D+00  0.733156D+01
      5  -0.597547D+01 -0.503101D+00  0.830077D+00  0.948653D+00  0.907668D+00
      6   0.504076D+01 -0.202095D+00  0.108076D+00 -0.149086D+01 -0.950330D+00
               131           132           133           134           135 
      1  -0.256742D+02 -0.191628D+01  0.498308D+00 -0.162288D+01 -0.582720D+00
      2   0.350934D+02  0.164669D+01 -0.940731D+00  0.233559D+01  0.142147D+01
      3  -0.941922D+01  0.269589D+00  0.442424D+00 -0.712710D+00 -0.838749D+00
      4  -0.747546D+01 -0.454458D+00 -0.170645D-01 -0.664294D-02 -0.122911D+01
      5  -0.957093D+00 -0.992289D+00  0.329206D+00 -0.570896D+00 -0.638996D-02
      6   0.247961D+01  0.508009D+01 -0.350815D+00  0.140485D+01  0.182147D+00
               136           137           138           139           140 
      1   0.858119D+01  0.699653D+01  0.129460D+01  0.826849D+00 -0.102830D+02
      2   0.220818D+01  0.438098D+01  0.173726D+00  0.112725D+02  0.321740D+02
      3  -0.107894D+02 -0.113775D+02 -0.146833D+01 -0.120994D+02 -0.218910D+02
      4   0.230812D+02  0.265687D+02  0.552891D+01  0.281521D+02  0.485378D+02
      5   0.500703D+01  0.543178D+01  0.522695D+01  0.548703D+01  0.864323D+01
      6   0.379024D+01  0.427656D+01  0.307632D+01  0.538522D+01  0.109987D+02
               141           142           143           144           145 
      1  -0.200214D+01  0.113695D+01 -0.114976D+01 -0.726495D+00  0.102424D+03
      2   0.403638D+01  0.158665D+01  0.520674D+01  0.199038D+01 -0.588517D+02
      3  -0.203425D+01 -0.272360D+01 -0.405698D+01 -0.126389D+01 -0.435727D+02
      4   0.899202D+01  0.705203D+01  0.106545D+02  0.317791D+01  0.355904D+01
      5   0.550985D+01  0.220553D+01  0.266421D+01  0.187979D+01  0.133557D+02
      6   0.790893D+01  0.208610D+01  0.373769D+01  0.254959D+01 -0.202240D+01
               146           147           148           149           150 
      1   0.296835D+01  0.884743D+01  0.154601D+01  0.950708D+01  0.141877D+01
      2  -0.148479D+01 -0.603413D+01 -0.732863D+00 -0.473321D+01 -0.134051D+01
      3  -0.148356D+01 -0.281331D+01 -0.813147D+00 -0.477387D+01 -0.782639D-01
      4   0.827924D+01  0.154340D+00  0.152603D+02  0.111010D+01  0.140557D+01
      5   0.250554D+00  0.102399D+02  0.285421D+01  0.151835D+01  0.678928D+00
      6   0.559651D+00 -0.818465D-01  0.109683D+01 -0.182358D+00  0.174109D+01
               151           152           153           154           155 
      1   0.114875D+02  0.168419D+01  0.317683D+01  0.155828D+02 -0.107673D+02
      2  -0.679554D+01 -0.110255D+01 -0.181925D+01 -0.110575D+00 -0.350762D+01
      3  -0.469194D+01 -0.581638D+00 -0.135759D+01 -0.154722D+02  0.142750D+02
      4   0.293900D+01  0.121651D+01  0.601334D+00 -0.296705D+02  0.305058D+02
      5   0.273424D+01  0.406668D+00  0.207630D+01 -0.348767D+01  0.257810D+01
      6   0.801921D-01  0.589313D+00  0.445388D+00  0.109134D+01 -0.907851D+00
               156           157           158           159           160 
      1  -0.138478D+01 -0.550768D+01 -0.158853D+01 -0.925088D-01  0.653361D+00
      2   0.240308D+00 -0.966928D+01  0.241625D+02  0.135676D+01 -0.169319D+01
      3   0.114447D+01  0.151770D+02 -0.225740D+02 -0.126425D+01  0.103983D+01
      4   0.240014D+01  0.332941D+02 -0.485657D+02 -0.571259D+01  0.312169D+01
      5   0.477648D+01  0.457970D+01 -0.623492D+01 -0.491133D+01  0.166072D+01
      6  -0.257534D+01 -0.300855D+01  0.472668D+01  0.592010D+01 -0.129057D+01
               161           162           163           164           165 
      1  -0.135092D+01 -0.474763D+00 -0.493459D+01 -0.751088D+01 -0.297672D+01
      2   0.337161D+01  0.139376D+01  0.626173D+01  0.898150D+01  0.211013D+01
      3  -0.202069D+01 -0.918992D+00 -0.132714D+01 -0.147063D+01  0.866585D+00
      4  -0.518354D+01 -0.226061D+01  0.537571D+01  0.734886D+01  0.139272D+01
      5  -0.147321D+01 -0.583447D+00  0.567267D+00  0.100581D+01  0.184008D+01
      6   0.207160D+01  0.133515D+01  0.283006D+01  0.446444D+01  0.248612D+01
               166           167           168           169           170 
      1  -0.844237D+01 -0.291499D+02 -0.763394D+01 -0.226145D+01 -0.658233D+01
      2   0.105338D+02  0.372523D+02  0.688383D+01  0.261084D+01  0.768971D+01
      3  -0.209147D+01 -0.810241D+01  0.750109D+00 -0.349382D+00 -0.110738D+01
      4   0.582094D+01  0.262592D+01  0.172223D+00  0.168063D+01  0.128116D+01
      5   0.637408D+00 -0.474141D+00  0.530728D+00  0.105890D+01  0.648773D+00
      6   0.352843D+01  0.121425D+02  0.804707D+01  0.126497D+01  0.439268D+01
               171 
      1  -0.269659D+01
      2   0.294890D+01
      3  -0.252306D+00
      4   0.190505D+01
      5   0.115251D+01
      6   0.306385D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:58:59 2021, MaxMem=  5368709120 cpu:            7457.5 elap:             935.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.15456 -10.24519 -10.19582 -10.19160 -10.19048
 Alpha  occ. eigenvalues --  -10.19015 -10.18896 -10.18710 -10.18484  -1.03579
 Alpha  occ. eigenvalues --   -0.86569  -0.78600  -0.75297  -0.73299  -0.64764
 Alpha  occ. eigenvalues --   -0.61145  -0.59246  -0.53347  -0.48946  -0.47994
 Alpha  occ. eigenvalues --   -0.45293  -0.44566  -0.43945  -0.42595  -0.40009
 Alpha  occ. eigenvalues --   -0.38474  -0.37084  -0.35802  -0.34651  -0.33597
 Alpha  occ. eigenvalues --   -0.28783  -0.26020  -0.25243
 Alpha virt. eigenvalues --   -0.02099  -0.01513  -0.01209  -0.00060   0.00289
 Alpha virt. eigenvalues --    0.01605   0.01941   0.02403   0.03424   0.04253
 Alpha virt. eigenvalues --    0.04632   0.05549   0.06615   0.06723   0.07590
 Alpha virt. eigenvalues --    0.08284   0.08535   0.09118   0.09520   0.09642
 Alpha virt. eigenvalues --    0.10106   0.10440   0.10676   0.10923   0.11444
 Alpha virt. eigenvalues --    0.11781   0.11892   0.12478   0.12541   0.13158
 Alpha virt. eigenvalues --    0.14046   0.14665   0.14972   0.15397   0.16273
 Alpha virt. eigenvalues --    0.16349   0.17313   0.17803   0.19344   0.20024
 Alpha virt. eigenvalues --    0.20554   0.21240   0.22062   0.22189   0.23314
 Alpha virt. eigenvalues --    0.23429   0.23905   0.24303   0.24825   0.25108
 Alpha virt. eigenvalues --    0.25415   0.26262   0.26612   0.26968   0.27165
 Alpha virt. eigenvalues --    0.27908   0.28744   0.28770   0.30232   0.30578
 Alpha virt. eigenvalues --    0.31242   0.31568   0.32274   0.32682   0.33236
 Alpha virt. eigenvalues --    0.33464   0.35207   0.35729   0.36708   0.37359
 Alpha virt. eigenvalues --    0.38119   0.38173   0.39030   0.40541   0.40991
 Alpha virt. eigenvalues --    0.41716   0.42037   0.43480   0.44144   0.44306
 Alpha virt. eigenvalues --    0.46151   0.46207   0.47019   0.47501   0.49010
 Alpha virt. eigenvalues --    0.49527   0.50291   0.50364   0.51204   0.52411
 Alpha virt. eigenvalues --    0.52978   0.53465   0.54285   0.54606   0.55217
 Alpha virt. eigenvalues --    0.55868   0.56631   0.57199   0.57714   0.58567
 Alpha virt. eigenvalues --    0.58789   0.59222   0.59810   0.61366   0.61558
 Alpha virt. eigenvalues --    0.62293   0.63169   0.63920   0.64571   0.64912
 Alpha virt. eigenvalues --    0.65212   0.65806   0.66770   0.67071   0.69269
 Alpha virt. eigenvalues --    0.69781   0.71174   0.72282   0.73081   0.73727
 Alpha virt. eigenvalues --    0.75029   0.75530   0.75912   0.77417   0.77557
 Alpha virt. eigenvalues --    0.77752   0.79039   0.79886   0.80548   0.81212
 Alpha virt. eigenvalues --    0.81892   0.83094   0.83464   0.83724   0.85931
 Alpha virt. eigenvalues --    0.89248   0.90723   0.91212   0.94083   0.94520
 Alpha virt. eigenvalues --    0.95031   0.96286   0.96568   0.99262   0.99719
 Alpha virt. eigenvalues --    1.01930   1.03069   1.06296   1.08295   1.09575
 Alpha virt. eigenvalues --    1.10082   1.15395   1.16754   1.19491   1.20604
 Alpha virt. eigenvalues --    1.22107   1.26909   1.29006   1.30280   1.30779
 Alpha virt. eigenvalues --    1.32228   1.33867   1.34996   1.37031   1.38166
 Alpha virt. eigenvalues --    1.38759   1.40600   1.41800   1.42499   1.44361
 Alpha virt. eigenvalues --    1.44915   1.45792   1.48081   1.49350   1.50052
 Alpha virt. eigenvalues --    1.50775   1.51796   1.52512   1.54163   1.54898
 Alpha virt. eigenvalues --    1.56143   1.59430   1.60871   1.62166   1.63984
 Alpha virt. eigenvalues --    1.64642   1.66197   1.66939   1.67332   1.69113
 Alpha virt. eigenvalues --    1.70521   1.70824   1.72770   1.73026   1.75212
 Alpha virt. eigenvalues --    1.77190   1.77609   1.79181   1.80882   1.83361
 Alpha virt. eigenvalues --    1.84381   1.85395   1.87062   1.87628   1.88887
 Alpha virt. eigenvalues --    1.92196   1.92556   1.94873   1.95052   1.97093
 Alpha virt. eigenvalues --    1.97907   1.98169   2.00985   2.03454   2.04275
 Alpha virt. eigenvalues --    2.05320   2.07857   2.08878   2.09602   2.10916
 Alpha virt. eigenvalues --    2.12553   2.16156   2.16619   2.17886   2.19341
 Alpha virt. eigenvalues --    2.21264   2.24790   2.26526   2.30274   2.32866
 Alpha virt. eigenvalues --    2.35120   2.40116   2.42282   2.45841   2.47176
 Alpha virt. eigenvalues --    2.50164   2.51551   2.52570   2.54542   2.55625
 Alpha virt. eigenvalues --    2.60466   2.64674   2.69688   2.70966   2.72819
 Alpha virt. eigenvalues --    2.75569   2.80739   2.82266   2.83592   2.87600
 Alpha virt. eigenvalues --    2.96586   3.00136   3.04867   3.08273   3.23153
 Alpha virt. eigenvalues --    3.35228   3.43326   3.45960   3.50958   3.54104
 Alpha virt. eigenvalues --    3.56922   3.70206   3.96769   4.49697
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.515143  -0.134961   0.308137  -0.066014  -0.004023  -0.032428
     2  C   -0.134961   9.001153  -0.057063  -1.005833   0.487660   0.224054
     3  H    0.308137  -0.057063   0.685190   0.020780  -0.049539   0.019005
     4  H   -0.066014  -1.005833   0.020780   2.186577  -0.092691   0.198966
     5  C   -0.004023   0.487660  -0.049539  -0.092691   4.288113   0.087201
     6  C   -0.032428   0.224054   0.019005   0.198966   0.087201  18.797262
     7  H    0.023333  -0.304106  -0.015753   0.110693   0.283741  -0.181566
     8  H    0.007936   0.424232   0.013792  -0.074063   0.114469  -0.195207
     9  H   -0.013379   0.085423  -0.000024  -0.077318   0.060544   0.261078
    10  C    0.212857  -1.268759  -0.043652   0.075526  -0.171066  -8.857244
    11  C   -0.146328   0.146454   0.029456   0.000258   0.157325   4.980705
    12  C    0.019103  -0.050192  -0.010091   0.018894  -0.100558  -5.600249
    13  C   -0.028936  -0.275603   0.006904   0.014467   0.157745   4.308121
    14  C   -0.001825  -2.154858  -0.014336   0.180767  -0.403076  -9.894418
    15  H   -0.168835   0.293334   0.019207   0.027222   0.023174   0.664566
    16  H    0.002007   0.030355   0.000286  -0.000438   0.001017  -0.359706
    17  H    0.000834  -0.019066  -0.000065   0.001238  -0.000260   0.144238
    18  H   -0.001094   0.031329  -0.000048   0.001144  -0.003150  -0.501092
    19  H    0.007050  -0.166256  -0.000054  -0.000567   0.101803   0.696458
               7          8          9         10         11         12
     1  O    0.023333   0.007936  -0.013379   0.212857  -0.146328   0.019103
     2  C   -0.304106   0.424232   0.085423  -1.268759   0.146454  -0.050192
     3  H   -0.015753   0.013792  -0.000024  -0.043652   0.029456  -0.010091
     4  H    0.110693  -0.074063  -0.077318   0.075526   0.000258   0.018894
     5  C    0.283741   0.114469   0.060544  -0.171066   0.157325  -0.100558
     6  C   -0.181566  -0.195207   0.261078  -8.857244   4.980705  -5.600249
     7  H    1.899127  -0.298333  -0.434376   0.194590  -0.013942   0.022641
     8  H   -0.298333   1.948851  -0.319317   0.084553   0.045886  -0.022558
     9  H   -0.434376  -0.319317   1.826912  -0.184466  -0.005846  -0.007179
    10  C    0.194590   0.084553  -0.184466  22.869423  -9.305995   5.672708
    11  C   -0.013942   0.045886  -0.005846  -9.305995  17.094751  -6.505775
    12  C    0.022641  -0.022558  -0.007179   5.672708  -6.505775  13.831910
    13  C   -0.036871  -0.087711   0.045419  -6.706629   6.204088  -6.425113
    14  C    0.086221  -0.237783   0.039139   3.975456  -6.505343   5.250108
    15  H   -0.002909   0.007990  -0.001166  -2.836740   1.171651  -0.270110
    16  H   -0.001291  -0.000791   0.000885   1.372905  -2.221931   0.756510
    17  H    0.000803   0.000143  -0.000208  -0.251969   0.832128  -1.890046
    18  H    0.000218  -0.002684   0.000864   0.284825  -0.432732   0.861094
    19  H    0.003104  -0.071730   0.001346  -0.207107   0.147975  -0.271779
              13         14         15         16         17         18
     1  O   -0.028936  -0.001825  -0.168835   0.002007   0.000834  -0.001094
     2  C   -0.275603  -2.154858   0.293334   0.030355  -0.019066   0.031329
     3  H    0.006904  -0.014336   0.019207   0.000286  -0.000065  -0.000048
     4  H    0.014467   0.180767   0.027222  -0.000438   0.001238   0.001144
     5  C    0.157745  -0.403076   0.023174   0.001017  -0.000260  -0.003150
     6  C    4.308121  -9.894418   0.664566  -0.359706   0.144238  -0.501092
     7  H   -0.036871   0.086221  -0.002909  -0.001291   0.000803   0.000218
     8  H   -0.087711  -0.237783   0.007990  -0.000791   0.000143  -0.002684
     9  H    0.045419   0.039139  -0.001166   0.000885  -0.000208   0.000864
    10  C   -6.706629   3.975456  -2.836740   1.372905  -0.251969   0.284825
    11  C    6.204088  -6.505343   1.171651  -2.221931   0.832128  -0.432732
    12  C   -6.425113   5.250108  -0.270110   0.756510  -1.890046   0.861094
    13  C   15.687363  -6.731471   0.193676  -0.483271   0.856109  -2.022446
    14  C   -6.731471  23.132252  -0.324029   0.266415  -0.248052   1.186863
    15  H    0.193676  -0.324029   3.530619  -0.204332  -0.030127   0.022084
    16  H   -0.483271   0.266415  -0.204332   2.802354  -0.150171  -0.039320
    17  H    0.856109  -0.248052  -0.030127  -0.150171   2.705470  -0.156438
    18  H   -2.022446   1.186863   0.022084  -0.039320  -0.156438   2.804645
    19  H    0.892833  -2.355204  -0.056359   0.020052  -0.026735  -0.243893
              19
     1  O    0.007050
     2  C   -0.166256
     3  H   -0.000054
     4  H   -0.000567
     5  C    0.101803
     6  C    0.696458
     7  H    0.003104
     8  H   -0.071730
     9  H    0.001346
    10  C   -0.207107
    11  C    0.147975
    12  C   -0.271779
    13  C    0.892833
    14  C   -2.355204
    15  H   -0.056359
    16  H    0.020052
    17  H   -0.026735
    18  H   -0.243893
    19  H    3.576688
 Mulliken charges:
               1
     1  O   -0.498577
     2  C    0.712704
     3  H    0.087867
     4  H   -0.519607
     5  C    1.061572
     6  C    1.240258
     7  H   -0.335325
     8  H   -0.337674
     9  H   -0.278331
    10  C    1.090782
    11  C    0.327217
    12  C    0.720685
    13  C    0.431327
    14  C    0.753173
    15  H   -1.058915
    16  H   -0.791534
    17  H   -0.767827
    18  H   -0.790170
    19  H   -1.047626
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.410711
     2  C    0.193097
     5  C    0.110242
     6  C    1.240258
    10  C    0.031868
    11  C   -0.464316
    12  C   -0.047142
    13  C   -0.358843
    14  C   -0.294453
 Electronic spatial extent (au):  <R**2>=           1278.1535
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2818    Y=             -0.8816    Z=              1.1798  Tot=              1.4995
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.8085   YY=            -51.6458   ZZ=            -57.1456
   XY=              2.0564   XZ=             -2.6352   YZ=              3.8970
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3915   YY=              2.5542   ZZ=             -2.9456
   XY=              2.0564   XZ=             -2.6352   YZ=              3.8970
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              7.4926  YYY=              4.8356  ZZZ=             -1.7760  XYY=              0.3857
  XXY=             -4.1249  XXZ=              9.5832  XZZ=            -10.4731  YZZ=              1.5586
  YYZ=              3.1680  XYZ=             -5.2523
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1172.9264 YYYY=           -403.2534 ZZZZ=           -125.7558 XXXY=              3.1018
 XXXZ=             -9.0407 YYYX=            -13.0944 YYYZ=             13.0764 ZZZX=              2.8471
 ZZZY=              0.1506 XXYY=           -261.7512 XXZZ=           -231.1090 YYZZ=            -97.6743
 XXYZ=             20.8775 YYXZ=             -7.1325 ZZXY=             -3.4790
 N-N= 4.253275811192D+02 E-N=-1.748387082879D+03  KE= 3.838752073610D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:59:00 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.04765525D-01-3.25934540D-01 4.80616367D-01
 Polarizability= 1.19505687D+02 1.75631899D+00 9.99481783D+01
                 2.10175880D+00 5.58916901D+00 6.41850941D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.9618   -0.9615        0.8648    0.8635
 2      0.9618    0.9615       -2.7099   -2.7100      -11.4299  -11.4301
 3     -0.8648   -0.8635       29.9331   29.9323        2.7105    2.7100
 4      2.7099    2.7100        0.0000    0.0000       -0.8628   -0.8635
 5    -18.5031  -18.5023        0.8628    0.8635       -0.9662   -0.9615
 6     -2.7105   -2.7100        0.9662    0.9615       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.8844    2.8844        2.5905    2.5905
 2      8.1301    8.1301        0.0000    0.0000        2.5905    2.5905
 3      8.1301    8.1301        2.8844    2.8844        0.0000    0.0000
 4      2.8844    2.8844       -8.1301   -8.1301      -34.2902  -34.2902
 5     -2.5905   -2.5905       89.7970   89.7970        8.1301    8.1301
 6    -55.5068  -55.5068        2.5905    2.5905       -2.8844   -2.8844
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0550    0.0000        3.8480    3.8458       -3.4743   -3.4539
 2     -3.8780   -3.8458       10.7734   10.8402       45.6770   45.7203
 3      3.3249    3.4539     -119.5882 -119.7294      -10.6723  -10.8402
 4    -10.8294  -10.8402       -0.1558    0.0000        3.5866    3.4539
 5     74.0401   74.0091       -3.1950   -3.4539        3.6273    3.8458
 6     10.7715   10.8402       -4.3253   -3.8458        0.0019    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1920    0.0000        1.2134    1.1027      -10.9782  -10.9552
 2     -1.2082   -1.1027      -41.7686  -42.0472      -20.2355  -20.1754
 3     11.1175   10.9552      -16.9646  -16.7313       42.7528   42.0472
 4     42.0316   42.0472        0.1775    0.0000       10.6787   10.9552
 5     36.8341   36.9067      -11.3333  -10.9552        0.6118    1.1027
 6    -42.2909  -42.0472       -1.3508   -1.1027        0.2411    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.5295   10.6329       12.9291   13.1250       17.6707   17.7494
 2     78.9481   78.8966        4.1096    3.8820       17.3337   17.7494
 3     78.9367   78.8966       13.3543   13.1250       20.4168   20.7492
 4      9.0820    9.2430      -68.0076  -68.2637      -24.2261  -24.4214
 5      3.1546    2.9997      -33.0519  -33.1331       68.0540   68.2637
 6     57.4498   57.5545       -3.6467   -2.9997       -9.5883   -9.2430
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.1307   -1.9003   -0.0007   -0.0005    0.0003    5.0110
 Low frequencies ---   31.1155  139.5620  220.3087
 Diagonal vibrational polarizability:
       50.2402029      12.9840523      23.9614559
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.0917               139.5619               220.3086
 Red. masses --      3.3798                 3.4142                 2.7288
 Frc consts  --      0.0019                 0.0392                 0.0780
 IR Inten    --      1.0137                 2.0383                 0.5945
 RamAct Fr= 1--      2.6013                 4.4364                 0.1745
  Dep-P Fr= 1--      0.7491                 0.7207                 0.5435
  Dep-U Fr= 1--      0.8566                 0.8377                 0.7042
 Alpha2 Fr= 1--      0.0000                 0.0022                 0.0007
 Beta2  Fr= 1--      0.3714                 0.6194                 0.0205
 AlphaG Fr= 1--      0.0004                 0.0015                -0.0016
 Gamma2 Fr= 1--     -0.8095                -0.1983                 0.0662
 Delta2 Fr= 1--     -0.3728                -0.0734                 0.0605
 Raman1 Fr= 1--      10.405                 17.746                  0.698
 ROA1   Fr= 1--     -89.645                -21.381                  8.291
 CID1   Fr= 1--      -8.615                 -1.205                 11.879
 Raman2 Fr= 1--       4.456                  7.433                  0.246
 ROA2   Fr= 1--     -16.446                 -4.172                  1.106
 CID2   Fr= 1--      -3.690                 -0.561                  4.498
 Raman3 Fr= 1--       8.913                 14.865                  0.492
 ROA3   Fr= 1--     -89.645                -21.381                  8.291
 CID3   Fr= 1--     -10.058                 -1.438                 16.868
 RC180  Fr= 1--       0.713                  0.675                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.05   0.21    -0.06  -0.00   0.08     0.18   0.07   0.05
     2   6    -0.00   0.04  -0.02    -0.02   0.02  -0.04    -0.02  -0.03  -0.00
     3   1     0.11  -0.06   0.25     0.16   0.02   0.08     0.24   0.03   0.07
     4   1     0.01   0.24  -0.10    -0.17   0.02  -0.01    -0.13   0.01   0.00
     5   6    -0.04  -0.14  -0.20     0.21  -0.00   0.09    -0.10   0.07   0.03
     6   6     0.00   0.01   0.01    -0.01   0.04  -0.20    -0.01  -0.14  -0.05
     7   1    -0.04  -0.34  -0.12     0.46  -0.03   0.05     0.23  -0.10   0.04
     8   1    -0.08  -0.15  -0.39     0.19  -0.01  -0.04    -0.44  -0.07  -0.17
     9   1    -0.04  -0.07  -0.23     0.17   0.02   0.34    -0.15   0.45   0.23
    10   6     0.03   0.04  -0.14    -0.00   0.03  -0.17    -0.09  -0.09  -0.04
    11   6     0.03   0.03  -0.15    -0.02  -0.02   0.03    -0.11   0.03   0.01
    12   6     0.01   0.01  -0.01    -0.06  -0.06   0.20    -0.03   0.09   0.03
    13   6    -0.02  -0.02   0.14    -0.05  -0.03   0.07     0.08   0.04  -0.01
    14   6    -0.02  -0.02   0.15    -0.02   0.02  -0.14     0.07  -0.08  -0.05
    15   1     0.04   0.05  -0.25     0.02   0.05  -0.24    -0.16  -0.14  -0.08
    16   1     0.04   0.05  -0.27    -0.02  -0.03   0.10    -0.20   0.07   0.03
    17   1     0.01   0.00  -0.01    -0.08  -0.10   0.41    -0.03   0.16   0.07
    18   1    -0.03  -0.04   0.25    -0.07  -0.05   0.17     0.16   0.09   0.00
    19   1    -0.03  -0.04   0.26    -0.03   0.04  -0.20     0.16  -0.13  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    255.6224               287.8783               325.9364
 Red. masses --      1.2689                 1.0418                 3.3800
 Frc consts  --      0.0488                 0.0509                 0.2116
 IR Inten    --      4.7238               123.4820                 0.4163
 RamAct Fr= 1--      0.1971                 0.2980                 2.2293
  Dep-P Fr= 1--      0.7067                 0.7494                 0.0952
  Dep-U Fr= 1--      0.8282                 0.8567                 0.1738
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0395
 Beta2  Fr= 1--      0.0272                 0.0425                 0.0646
 AlphaG Fr= 1--     -0.0011                -0.0002                 0.0017
 Gamma2 Fr= 1--     -0.0463                -0.0230                -0.2049
 Delta2 Fr= 1--     -0.1268                 0.1175                 0.0159
 Raman1 Fr= 1--       0.789                  1.192                  8.917
 ROA1   Fr= 1--      -8.504                  1.549                -19.166
 CID1   Fr= 1--     -10.785                  1.300                 -2.149
 Raman2 Fr= 1--       0.327                  0.511                  0.775
 ROA2   Fr= 1--      -0.097                 -1.492                 -5.046
 CID2   Fr= 1--      -0.297                 -2.923                 -6.513
 Raman3 Fr= 1--       0.653                  1.021                  1.550
 ROA3   Fr= 1--      -8.504                  1.549                -19.166
 CID3   Fr= 1--     -13.022                  1.517                -12.368
 RC180  Fr= 1--       0.656                  0.713                 -0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.04  -0.02  -0.06    -0.02  -0.02  -0.00     0.15   0.09  -0.03
     2   6     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.03   0.04  -0.08
     3   1     0.10   0.11  -0.10     0.87   0.43  -0.13     0.12   0.03  -0.01
     4   1     0.03  -0.02  -0.00    -0.01   0.01   0.01    -0.01   0.08  -0.09
     5   6     0.04  -0.03  -0.00    -0.02  -0.03  -0.00     0.25  -0.02  -0.03
     6   6    -0.01   0.03   0.03    -0.01   0.00   0.00    -0.03  -0.03  -0.00
     7   1     0.50  -0.35   0.04    -0.13   0.02  -0.00     0.22   0.09  -0.07
     8   1    -0.31  -0.16  -0.41     0.06   0.00   0.06     0.54   0.10   0.02
     9   1    -0.03   0.38   0.32     0.00  -0.10  -0.08     0.25  -0.35   0.07
    10   6     0.01   0.02   0.05     0.00   0.00  -0.00    -0.11  -0.03   0.10
    11   6     0.02  -0.00   0.01    -0.00   0.00   0.01    -0.12   0.00   0.03
    12   6     0.01  -0.01  -0.04     0.00   0.00   0.00    -0.11   0.03  -0.13
    13   6    -0.02  -0.00   0.00    -0.00   0.01  -0.02    -0.08  -0.02   0.03
    14   6    -0.03   0.02   0.05    -0.00   0.01   0.00    -0.08  -0.07   0.11
    15   1     0.04   0.04   0.07     0.04   0.03  -0.03    -0.15  -0.07   0.14
    16   1     0.04  -0.01   0.00    -0.00   0.00   0.02    -0.12  -0.00   0.04
    17   1     0.01  -0.02  -0.10     0.00   0.00  -0.00    -0.09   0.07  -0.28
    18   1    -0.04  -0.01  -0.01    -0.00   0.01  -0.04    -0.05  -0.01   0.06
    19   1    -0.05   0.03   0.07    -0.00   0.01   0.01    -0.09  -0.08   0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    397.2469               414.6626               467.3430
 Red. masses --      4.5432                 2.9593                 2.9733
 Frc consts  --      0.4224                 0.2998                 0.3826
 IR Inten    --      7.5308                 1.3417                 2.8514
 RamAct Fr= 1--      1.6674                 0.0100                 2.5688
  Dep-P Fr= 1--      0.5465                 0.4387                 0.1332
  Dep-U Fr= 1--      0.7067                 0.6098                 0.2352
 Alpha2 Fr= 1--      0.0065                 0.0001                 0.0414
 Beta2  Fr= 1--      0.1964                 0.0010                 0.1007
 AlphaG Fr= 1--     -0.0119                -0.0014                 0.0244
 Gamma2 Fr= 1--      0.3602                -0.0713                 0.2095
 Delta2 Fr= 1--      0.0781                -0.0229                -0.1233
 Raman1 Fr= 1--       6.670                  0.040                 10.275
 ROA1   Fr= 1--      37.084                 -7.580                 16.168
 CID1   Fr= 1--       5.560               -189.461                  1.574
 Raman2 Fr= 1--       2.357                  0.012                  1.208
 ROA2   Fr= 1--       8.021                 -1.528                  6.015
 CID2   Fr= 1--       3.403               -125.271                  4.979
 Raman3 Fr= 1--       4.714                  0.024                  2.416
 ROA3   Fr= 1--      37.084                 -7.580                 16.168
 CID3   Fr= 1--       7.868               -310.674                  6.691
 RC180  Fr= 1--       0.413                  0.220                 -0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.01  -0.09    -0.01  -0.00   0.01    -0.07   0.19  -0.11
     2   6     0.08  -0.07   0.16    -0.00   0.00  -0.01    -0.13   0.11   0.10
     3   1    -0.06   0.02  -0.11     0.13   0.05  -0.01    -0.24   0.33  -0.16
     4   1     0.17  -0.16   0.17    -0.01   0.00  -0.01    -0.14   0.09   0.12
     5   6    -0.04  -0.17   0.05    -0.01   0.01  -0.00     0.02  -0.12   0.04
     6   6    -0.01   0.07   0.14     0.00  -0.01  -0.02    -0.05  -0.08   0.07
     7   1    -0.14  -0.36   0.15    -0.00   0.02  -0.01     0.01  -0.35   0.13
     8   1    -0.04  -0.17  -0.11    -0.00   0.01   0.01     0.31   0.01  -0.28
     9   1    -0.02  -0.15  -0.08    -0.01   0.02   0.00     0.03  -0.41   0.11
    10   6    -0.01   0.13  -0.05    -0.03  -0.05   0.22     0.01  -0.10  -0.03
    11   6    -0.01   0.06  -0.09     0.02   0.03  -0.19     0.01  -0.03  -0.05
    12   6    -0.13  -0.04   0.12     0.01   0.01  -0.01     0.07   0.01   0.07
    13   6    -0.13   0.00  -0.06    -0.02  -0.03   0.21     0.08   0.03  -0.02
    14   6    -0.10   0.08  -0.11     0.03   0.03  -0.20     0.06  -0.04  -0.02
    15   1     0.00   0.14  -0.15    -0.05  -0.08   0.45     0.01  -0.09  -0.08
    16   1     0.09   0.03  -0.21     0.04   0.08  -0.43    -0.06   0.02  -0.12
    17   1    -0.14  -0.12   0.25     0.01   0.02  -0.04     0.07   0.04   0.13
    18   1    -0.14   0.00  -0.14    -0.04  -0.07   0.45     0.10   0.04  -0.09
    19   1    -0.18   0.17  -0.28     0.06   0.07  -0.42     0.16  -0.07  -0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    529.4549               613.8005               638.1778
 Red. masses --      3.4072                 3.2970                 6.3662
 Frc consts  --      0.5627                 0.7318                 1.5276
 IR Inten    --     20.8339                 7.1382                 0.0719
 RamAct Fr= 1--      1.9813                 1.1380                 4.1832
  Dep-P Fr= 1--      0.2641                 0.7101                 0.7486
  Dep-U Fr= 1--      0.4178                 0.8305                 0.8562
 Alpha2 Fr= 1--      0.0226                 0.0008                 0.0001
 Beta2  Fr= 1--      0.1380                 0.1575                 0.5969
 AlphaG Fr= 1--     -0.0141                -0.0026                 0.0014
 Gamma2 Fr= 1--     -0.3996                -0.0434                 0.1316
 Delta2 Fr= 1--     -0.3040                 0.0678                -0.0049
 Raman1 Fr= 1--       7.925                  4.552                 16.733
 ROA1   Fr= 1--     -48.092                 -1.993                 12.472
 CID1   Fr= 1--      -6.068                 -0.438                  0.745
 Raman2 Fr= 1--       1.656                  1.890                  7.163
 ROA2   Fr= 1--      -7.159                 -1.583                  3.197
 CID2   Fr= 1--      -4.323                 -0.837                  0.446
 Raman3 Fr= 1--       3.311                  3.780                 14.327
 ROA3   Fr= 1--     -48.092                 -1.993                 12.472
 CID3   Fr= 1--     -14.523                 -0.527                  0.871
 RC180  Fr= 1--      -0.164                  0.661                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11  -0.04   0.03    -0.09   0.01  -0.03    -0.00   0.03   0.00
     2   6     0.11   0.06  -0.03     0.16   0.10   0.19     0.01   0.00   0.02
     3   1     0.08   0.01   0.02    -0.14   0.26  -0.12     0.03   0.05  -0.01
     4   1     0.28   0.13  -0.09     0.16   0.03   0.22     0.01   0.00   0.02
     5   6     0.10   0.14  -0.09     0.01   0.01  -0.00    -0.01   0.00   0.00
     6   6     0.04  -0.08   0.25     0.16  -0.01  -0.07    -0.00   0.14   0.02
     7   1     0.17   0.21  -0.13    -0.26  -0.26   0.15    -0.02  -0.03   0.02
     8   1     0.04   0.11  -0.02    -0.08  -0.02  -0.17    -0.01   0.00  -0.03
     9   1     0.09   0.22  -0.05     0.06   0.12  -0.34    -0.00   0.01  -0.02
    10   6    -0.04  -0.02   0.02     0.00   0.04  -0.05    -0.25   0.20   0.00
    11   6    -0.05   0.04  -0.12    -0.05   0.07   0.08    -0.24  -0.24  -0.06
    12   6    -0.10  -0.02   0.15    -0.14   0.03  -0.11     0.00  -0.14  -0.03
    13   6     0.02  -0.03  -0.12    -0.00  -0.10   0.05     0.26  -0.23  -0.00
    14   6     0.01  -0.09   0.01     0.03  -0.14  -0.08     0.23   0.21   0.05
    15   1    -0.10  -0.04  -0.25    -0.16  -0.07   0.07    -0.10   0.29   0.04
    16   1    -0.00   0.07  -0.40    -0.00  -0.01   0.30    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.15   0.04  -0.05    -0.02   0.29   0.04
    18   1     0.12   0.07  -0.38     0.12  -0.05   0.30     0.13  -0.32  -0.01
    19   1     0.01  -0.03  -0.26    -0.07  -0.13   0.08     0.07   0.29   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0793               755.9441               781.3334
 Red. masses --      1.7922                 2.8187                 2.1314
 Frc consts  --      0.5384                 0.9490                 0.7666
 IR Inten    --     39.6210                17.1668                17.2825
 RamAct Fr= 1--      0.0903                10.8010                 5.3915
  Dep-P Fr= 1--      0.3341                 0.0458                 0.1937
  Dep-U Fr= 1--      0.5008                 0.0877                 0.3246
 Alpha2 Fr= 1--      0.0008                 0.2155                 0.0744
 Beta2  Fr= 1--      0.0075                 0.1578                 0.2916
 AlphaG Fr= 1--      0.0032                -0.0492                -0.0002
 Gamma2 Fr= 1--      0.0535                 1.3076                 1.0853
 Delta2 Fr= 1--     -0.0037                 0.3302                 0.0662
 Raman1 Fr= 1--       0.361                 43.204                 21.566
 ROA1   Fr= 1--       5.014                136.100                106.306
 CID1   Fr= 1--      13.874                  3.150                  4.929
 Raman2 Fr= 1--       0.091                  1.894                  3.500
 ROA2   Fr= 1--       1.313                 28.742                 25.517
 CID2   Fr= 1--      14.510                 15.176                  7.291
 Raman3 Fr= 1--       0.181                  3.788                  7.000
 ROA3   Fr= 1--       5.014                136.100                106.306
 CID3   Fr= 1--      27.701                 35.930                 15.187
 RC180  Fr= 1--       0.002                 -0.825                 -0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.01  -0.06   0.01    -0.00   0.04  -0.00
     2   6     0.00   0.00   0.00     0.08   0.03   0.09    -0.09  -0.04  -0.09
     3   1     0.01   0.02  -0.01    -0.02   0.05  -0.04     0.07  -0.07   0.04
     4   1    -0.04  -0.01   0.02     0.19   0.00   0.07     0.04   0.08  -0.16
     5   6    -0.00  -0.00   0.00     0.07   0.08  -0.06    -0.04  -0.04   0.01
     6   6     0.02   0.02  -0.10    -0.10  -0.03   0.12     0.02  -0.03   0.18
     7   1    -0.03  -0.02   0.01    -0.02  -0.01  -0.01     0.21   0.16  -0.12
     8   1    -0.02  -0.01   0.00     0.03   0.07  -0.12     0.06   0.00   0.14
     9   1     0.00   0.01  -0.03     0.09   0.14  -0.19    -0.09  -0.16   0.33
    10   6    -0.01  -0.00   0.08    -0.03  -0.11  -0.10     0.03   0.08  -0.04
    11   6     0.02   0.03  -0.14    -0.06  -0.13  -0.02     0.04   0.08   0.02
    12   6    -0.02  -0.01   0.07     0.13   0.03  -0.08    -0.05   0.01  -0.11
    13   6     0.02   0.02  -0.14    -0.06   0.11   0.03     0.03  -0.07  -0.00
    14   6    -0.01  -0.02   0.07    -0.04   0.11  -0.07     0.04  -0.04  -0.08
    15   1    -0.05  -0.06   0.49     0.02  -0.10   0.09    -0.01   0.05  -0.01
    16   1    -0.01  -0.03   0.19    -0.28  -0.12   0.41     0.10  -0.04   0.42
    17   1    -0.08  -0.10   0.56     0.07  -0.05   0.42    -0.11  -0.10   0.44
    18   1    -0.01  -0.04   0.20    -0.24  -0.05   0.42     0.07  -0.10   0.42
    19   1    -0.06  -0.10   0.50     0.03   0.03   0.11    -0.02  -0.03   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.9221               913.0837               922.4709
 Red. masses --      1.2493                 2.2620                 1.3763
 Frc consts  --      0.5405                 1.1111                 0.6901
 IR Inten    --      0.1375                 9.6157                 1.7389
 RamAct Fr= 1--      1.7289                 2.5100                 1.5854
  Dep-P Fr= 1--      0.7353                 0.6962                 0.4038
  Dep-U Fr= 1--      0.8475                 0.8209                 0.5753
 Alpha2 Fr= 1--      0.0004                 0.0024                 0.0116
 Beta2  Fr= 1--      0.2442                 0.3434                 0.1520
 AlphaG Fr= 1--     -0.0000                -0.0163                -0.0091
 Gamma2 Fr= 1--     -0.1917                -2.4382                -1.1092
 Delta2 Fr= 1--      0.0176                -1.7189                 0.1515
 Raman1 Fr= 1--       6.916                 10.040                  6.342
 ROA1   Fr= 1--     -17.841               -289.076               -101.635
 CID1   Fr= 1--      -2.580                -28.793                -16.026
 Raman2 Fr= 1--       2.930                  4.121                  1.824
 ROA2   Fr= 1--      -4.742                -44.767                -27.833
 CID2   Fr= 1--      -1.618                -10.864                -15.257
 Raman3 Fr= 1--       5.861                  8.241                  3.649
 ROA3   Fr= 1--     -17.841               -289.076               -101.635
 CID3   Fr= 1--      -3.044                -35.076                -27.856
 RC180  Fr= 1--       0.695                  0.642                  0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00     0.07  -0.14   0.01    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.16   0.02   0.07     0.01   0.00  -0.01
     3   1    -0.02  -0.00   0.00     0.03  -0.07  -0.02    -0.01  -0.03   0.01
     4   1     0.01   0.00  -0.00    -0.26  -0.19   0.17    -0.10  -0.07   0.04
     5   6     0.00  -0.00   0.00     0.00   0.18  -0.07     0.01   0.00   0.02
     6   6     0.00  -0.00   0.01    -0.04  -0.01  -0.00     0.01   0.01  -0.06
     7   1    -0.00   0.00  -0.00     0.03  -0.22   0.07    -0.09  -0.08   0.07
     8   1    -0.01  -0.01   0.01     0.38   0.35  -0.59    -0.03  -0.01  -0.04
     9   1     0.00   0.00  -0.01     0.02  -0.22  -0.04     0.03   0.04  -0.11
    10   6    -0.01  -0.01   0.07     0.01   0.04   0.01    -0.02  -0.01   0.09
    11   6    -0.01  -0.01   0.07     0.04   0.06   0.02     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.01    -0.03  -0.01  -0.00     0.02   0.02  -0.10
    13   6     0.01   0.02  -0.07     0.04  -0.05  -0.01     0.00   0.00  -0.01
    14   6     0.01   0.02  -0.08     0.01  -0.01  -0.00    -0.01  -0.02   0.09
    15   1     0.04   0.06  -0.47     0.02   0.05   0.02     0.04   0.06  -0.52
    16   1     0.06   0.08  -0.49     0.12   0.03  -0.02     0.01   0.01  -0.06
    17   1     0.01   0.00  -0.04    -0.02  -0.01  -0.02    -0.06  -0.11   0.60
    18   1    -0.06  -0.09   0.46     0.08  -0.03   0.04    -0.01  -0.01   0.04
    19   1    -0.05  -0.10   0.52     0.03  -0.03   0.02     0.05   0.10  -0.49
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.3666               978.6806              1024.9496
 Red. masses --      1.3481                 1.2415                 6.0437
 Frc consts  --      0.7341                 0.7006                 3.7408
 IR Inten    --      0.1607                 0.2299                 0.3631
 RamAct Fr= 1--      0.1125                 0.3103                54.3728
  Dep-P Fr= 1--      0.2348                 0.1311                 0.0518
  Dep-U Fr= 1--      0.3803                 0.2318                 0.0985
 Alpha2 Fr= 1--      0.0014                 0.0050                 1.0694
 Beta2  Fr= 1--      0.0071                 0.0120                 0.8930
 AlphaG Fr= 1--      0.0057                 0.0113                 0.0402
 Gamma2 Fr= 1--      0.2376                 0.1063                 0.0551
 Delta2 Fr= 1--     -0.0450                 0.0034                 0.0361
 Raman1 Fr= 1--       0.450                  1.241                217.491
 ROA1   Fr= 1--      21.365                 10.314                  6.443
 CID1   Fr= 1--      47.460                  8.311                  0.030
 Raman2 Fr= 1--       0.086                  0.144                 10.716
 ROA2   Fr= 1--       6.062                  2.525                  1.032
 CID2   Fr= 1--      70.810                 17.548                  0.096
 Raman3 Fr= 1--       0.171                  0.288                 21.431
 ROA3   Fr= 1--      21.365                 10.314                  6.443
 CID3   Fr= 1--     124.792                 35.848                  0.301
 RC180  Fr= 1--      -0.239                 -0.536                 -0.803
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02   0.01
     3   1     0.01   0.01  -0.00     0.00  -0.02   0.01     0.03  -0.01   0.01
     4   1     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.05  -0.04   0.02
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.03   0.01  -0.01
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
     7   1     0.01   0.01  -0.01    -0.02  -0.03   0.02    -0.03  -0.00   0.00
     8   1     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.03  -0.02   0.01
     9   1    -0.01   0.00   0.02     0.01   0.00  -0.02     0.03   0.05  -0.08
    10   6     0.01   0.01  -0.08    -0.01  -0.00   0.05    -0.21   0.34   0.02
    11   6    -0.01  -0.02   0.07     0.01   0.02  -0.09    -0.01  -0.04   0.00
    12   6    -0.01  -0.00   0.02    -0.00  -0.01   0.08     0.37   0.02   0.05
    13   6     0.01   0.02  -0.10     0.01   0.01  -0.06    -0.02   0.04   0.01
    14   6    -0.01  -0.01   0.09    -0.00  -0.01   0.02    -0.16  -0.35  -0.08
    15   1    -0.02  -0.05   0.43     0.02   0.05  -0.39    -0.14   0.39   0.14
    16   1     0.03   0.06  -0.37    -0.06  -0.10   0.58     0.04  -0.04  -0.05
    17   1     0.01   0.03  -0.11     0.07   0.08  -0.50     0.38   0.00   0.06
    18   1    -0.06  -0.10   0.59    -0.05  -0.08   0.40     0.02   0.04   0.01
    19   1     0.05   0.10  -0.50     0.02   0.04  -0.21    -0.08  -0.41  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1030.6125              1052.8848              1068.1301
 Red. masses --      1.9719                 2.1783                 1.6872
 Frc consts  --      1.2340                 1.4227                 1.1341
 IR Inten    --     32.1969                24.2766                11.4777
 RamAct Fr= 1--      4.7834                23.2461                 7.1493
  Dep-P Fr= 1--      0.4106                 0.0431                 0.3590
  Dep-U Fr= 1--      0.5821                 0.0826                 0.5284
 Alpha2 Fr= 1--      0.0341                 0.4668                 0.0609
 Beta2  Fr= 1--      0.4641                 0.3201                 0.6296
 AlphaG Fr= 1--      0.0141                -0.0096                -0.0364
 Gamma2 Fr= 1--      0.8670                -0.7929                -0.3783
 Delta2 Fr= 1--      1.2430                -0.7651                 0.7190
 Raman1 Fr= 1--      19.134                 92.985                 28.597
 ROA1   Fr= 1--     123.007               -100.602                -13.307
 CID1   Fr= 1--       6.429                 -1.082                 -0.465
 Raman2 Fr= 1--       5.569                  3.841                  7.555
 ROA2   Fr= 1--      10.863                -12.909                -14.831
 CID2   Fr= 1--       1.951                 -3.361                 -1.963
 Raman3 Fr= 1--      11.138                  7.682                 15.110
 ROA3   Fr= 1--     123.007               -100.602                -13.307
 CID3   Fr= 1--      11.044                -13.097                 -0.881
 RC180  Fr= 1--       0.164                 -0.835                  0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.11   0.00    -0.03   0.03  -0.00     0.02  -0.01   0.01
     2   6     0.04   0.17   0.02     0.02  -0.03  -0.07    -0.07  -0.06   0.13
     3   1    -0.08   0.12  -0.09     0.13  -0.25   0.11    -0.24   0.42  -0.16
     4   1     0.32   0.37  -0.13    -0.01  -0.18   0.01    -0.14   0.16   0.06
     5   6    -0.13  -0.03  -0.00    -0.02   0.03   0.05     0.06  -0.03  -0.12
     6   6     0.07   0.03  -0.06     0.05  -0.01   0.03    -0.04  -0.01  -0.03
     7   1     0.27   0.08  -0.11    -0.09  -0.22   0.16     0.16   0.39  -0.30
     8   1     0.21   0.11   0.05     0.08   0.08  -0.20    -0.10  -0.10   0.28
     9   1    -0.20  -0.34   0.53     0.00  -0.12  -0.04     0.02   0.24   0.01
    10   6     0.00  -0.01   0.02     0.04   0.06   0.01     0.01   0.04   0.02
    11   6    -0.04  -0.07  -0.02    -0.02  -0.17  -0.03     0.02  -0.04  -0.01
    12   6     0.01   0.02  -0.00    -0.12  -0.01  -0.02    -0.06  -0.01  -0.01
    13   6    -0.02   0.04   0.01    -0.05   0.18   0.03     0.01   0.06   0.01
    14   6    -0.02  -0.03   0.01     0.05  -0.04  -0.01     0.03  -0.02   0.01
    15   1     0.04   0.03  -0.11     0.26   0.20   0.08     0.15   0.13  -0.05
    16   1    -0.07  -0.05  -0.01     0.26  -0.33  -0.02     0.21  -0.14   0.01
    17   1     0.00   0.09   0.05    -0.13  -0.05  -0.03    -0.07  -0.06  -0.02
    18   1     0.02   0.07  -0.01     0.20   0.35   0.09     0.15   0.15   0.05
    19   1    -0.03  -0.01  -0.06     0.32  -0.18   0.03     0.20  -0.09  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.7204              1126.5183              1185.0647
 Red. masses --      1.8986                 2.1074                 1.1172
 Frc consts  --      1.3455                 1.5757                 0.9244
 IR Inten    --     27.8142                29.7377                 0.2513
 RamAct Fr= 1--      6.3577                 7.8868                 3.7606
  Dep-P Fr= 1--      0.1895                 0.1347                 0.7494
  Dep-U Fr= 1--      0.3187                 0.2374                 0.8567
 Alpha2 Fr= 1--      0.0888                 0.1267                 0.0000
 Beta2  Fr= 1--      0.3376                 0.3120                 0.5370
 AlphaG Fr= 1--      0.0213                 0.0020                -0.0004
 Gamma2 Fr= 1--      0.5615                -1.0163                 0.0419
 Delta2 Fr= 1--      0.5410                -0.4503                 0.1153
 Raman1 Fr= 1--      25.431                 31.547                 15.042
 ROA1   Fr= 1--      71.220               -111.971                  7.716
 CID1   Fr= 1--       2.801                 -3.549                  0.513
 Raman2 Fr= 1--       4.052                  3.744                  6.444
 ROA2   Fr= 1--       9.149                -20.788                  0.084
 CID2   Fr= 1--       2.258                 -5.552                  0.013
 Raman3 Fr= 1--       8.104                  7.489                 12.887
 ROA3   Fr= 1--      71.220               -111.971                  7.716
 CID3   Fr= 1--       8.789                -14.952                  0.599
 RC180  Fr= 1--      -0.363                 -0.525                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.06  -0.00     0.04  -0.09  -0.00    -0.00   0.00  -0.00
     2   6    -0.05   0.12  -0.06    -0.03   0.19  -0.08     0.00  -0.00   0.00
     3   1    -0.03  -0.05  -0.01    -0.05   0.06  -0.07     0.01  -0.01   0.01
     4   1    -0.12   0.08  -0.03    -0.12   0.27  -0.10     0.02  -0.02   0.00
     5   6     0.06  -0.04   0.05     0.04  -0.05   0.08    -0.00  -0.00  -0.00
     6   6    -0.08   0.05   0.03    -0.07  -0.03   0.03    -0.01   0.00  -0.00
     7   1    -0.20  -0.03   0.09    -0.24  -0.07   0.14     0.01   0.01  -0.01
     8   1    -0.20  -0.14   0.10    -0.19  -0.14   0.09     0.00   0.00   0.00
     9   1     0.08   0.19  -0.21     0.06   0.16  -0.17    -0.00   0.00   0.00
    10   6     0.09  -0.03   0.00    -0.09   0.02  -0.02    -0.01  -0.01  -0.00
    11   6    -0.02  -0.05  -0.01     0.06   0.05   0.02     0.05  -0.02   0.00
    12   6    -0.03   0.07   0.01    -0.01  -0.06  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.06  -0.00    -0.02   0.03   0.00    -0.04  -0.02  -0.01
    14   6    -0.07  -0.06  -0.03     0.08   0.02   0.01     0.01  -0.01  -0.00
    15   1     0.46   0.20   0.07    -0.31  -0.11   0.01    -0.15  -0.10  -0.02
    16   1    -0.12  -0.01   0.01     0.27  -0.06   0.02     0.45  -0.23   0.01
    17   1    -0.05   0.47   0.07     0.01  -0.41  -0.08    -0.04   0.65   0.11
    18   1     0.33   0.09   0.06    -0.09  -0.02  -0.00    -0.39  -0.24  -0.09
    19   1    -0.25   0.01   0.00     0.43  -0.16   0.03     0.17  -0.09  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1206.0194              1218.8630              1284.3630
 Red. masses --      1.1768                 2.0955                 1.6500
 Frc consts  --      1.0085                 1.8342                 1.6036
 IR Inten    --      2.9172                19.5853                 8.9940
 RamAct Fr= 1--      7.1091                11.5440                 7.5156
  Dep-P Fr= 1--      0.2510                 0.0820                 0.0740
  Dep-U Fr= 1--      0.4013                 0.1515                 0.1378
 Alpha2 Fr= 1--      0.0840                 0.2112                 0.1402
 Beta2  Fr= 1--      0.4755                 0.2915                 0.1726
 AlphaG Fr= 1--      0.0124                -0.0709                -0.0361
 Gamma2 Fr= 1--      0.0993                -0.9625                -0.6346
 Delta2 Fr= 1--      0.0593                 0.2741                 0.3833
 Raman1 Fr= 1--      28.437                 46.176                 30.062
 ROA1   Fr= 1--      11.432                -83.631                -48.658
 CID1   Fr= 1--       0.402                 -1.811                 -1.619
 Raman2 Fr= 1--       5.706                  3.498                  2.071
 ROA2   Fr= 1--       1.910                -25.293                -18.298
 CID2   Fr= 1--       0.335                 -7.231                 -8.834
 Raman3 Fr= 1--      11.411                  6.995                  4.142
 ROA3   Fr= 1--      11.432                -83.631                -48.658
 CID3   Fr= 1--       1.002                -11.955                -11.747
 RC180  Fr= 1--      -0.197                 -0.697                 -0.724
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.01  -0.00     0.02  -0.03   0.01    -0.00  -0.01   0.04
     2   6     0.03   0.00   0.01    -0.10  -0.00  -0.05     0.11  -0.11  -0.08
     3   1     0.02  -0.07   0.03    -0.16   0.27  -0.11    -0.32   0.57  -0.19
     4   1     0.13  -0.04   0.01    -0.58   0.13  -0.01    -0.08   0.42  -0.26
     5   6    -0.01  -0.00  -0.00     0.03   0.00   0.00    -0.03   0.05   0.07
     6   6    -0.07   0.01  -0.01     0.23  -0.05   0.06    -0.08  -0.08  -0.01
     7   1     0.03   0.02  -0.02    -0.10   0.00   0.02     0.01  -0.18   0.14
     8   1     0.03   0.01   0.01    -0.09  -0.05  -0.01     0.08   0.10  -0.20
     9   1    -0.01   0.00   0.03     0.03   0.04  -0.08     0.01  -0.16  -0.10
    10   6     0.03   0.02   0.01     0.07   0.04   0.01     0.00   0.02   0.00
    11   6    -0.02   0.04   0.00    -0.09  -0.04  -0.02     0.00   0.03   0.00
    12   6    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.07   0.05   0.00     0.04  -0.00   0.00
    14   6     0.05  -0.03   0.00     0.03   0.01  -0.00    -0.04   0.03  -0.00
    15   1     0.44   0.28   0.06     0.04   0.02   0.03     0.19   0.14   0.04
    16   1    -0.36   0.21  -0.00    -0.34   0.09  -0.02     0.14  -0.04   0.02
    17   1    -0.01  -0.04  -0.01     0.01   0.10   0.02    -0.01   0.06   0.01
    18   1    -0.34  -0.23  -0.08    -0.46  -0.19  -0.08     0.01  -0.02  -0.00
    19   1     0.51  -0.26  -0.00    -0.08   0.07   0.01    -0.05   0.03   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1328.7028              1342.9850              1359.6651
 Red. masses --      1.9455                 2.2933                 1.4856
 Frc consts  --      2.0236                 2.4370                 1.6181
 IR Inten    --     11.6539                 5.0029                 0.3975
 RamAct Fr= 1--     11.8478                 4.1226                 1.1396
  Dep-P Fr= 1--      0.2647                 0.3245                 0.2323
  Dep-U Fr= 1--      0.4186                 0.4900                 0.3770
 Alpha2 Fr= 1--      0.1347                 0.0392                 0.0142
 Beta2  Fr= 1--      0.8265                 0.3367                 0.0716
 AlphaG Fr= 1--      0.0308                -0.0509                -0.0235
 Gamma2 Fr= 1--      0.6218                -0.8067                -0.2997
 Delta2 Fr= 1--     -0.8675                -0.7800                -0.0177
 Raman1 Fr= 1--      47.391                 16.490                  4.558
 ROA1   Fr= 1--      31.932               -102.399                -29.335
 CID1   Fr= 1--       0.674                 -6.210                 -6.435
 Raman2 Fr= 1--       9.918                  4.040                  0.859
 ROA2   Fr= 1--      21.864                -13.120                 -7.051
 CID2   Fr= 1--       2.204                 -3.247                 -8.205
 Raman3 Fr= 1--      19.836                  8.080                  1.719
 ROA3   Fr= 1--      31.932               -102.399                -29.335
 CID3   Fr= 1--       1.610                -12.673                -17.068
 RC180  Fr= 1--      -0.163                 -0.020                 -0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02   0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.01
     2   6    -0.14  -0.11  -0.00    -0.12  -0.01   0.07     0.03  -0.01  -0.02
     3   1    -0.07   0.16  -0.05     0.16  -0.32   0.10    -0.03   0.11  -0.03
     4   1     0.61   0.34  -0.34     0.65   0.34  -0.23    -0.11  -0.11   0.05
     5   6     0.04   0.04   0.05     0.05   0.01   0.02    -0.02  -0.01   0.01
     6   6     0.05   0.15   0.00     0.03  -0.16  -0.06    -0.02   0.05   0.01
     7   1    -0.13  -0.04   0.10    -0.14  -0.01   0.06     0.05   0.04  -0.03
     8   1    -0.09  -0.00  -0.19    -0.08  -0.03  -0.03     0.06   0.02  -0.04
     9   1     0.08   0.00  -0.18     0.06   0.09  -0.08    -0.01   0.02  -0.02
    10   6    -0.02  -0.04  -0.00     0.08   0.06   0.02     0.11   0.04   0.02
    11   6     0.05  -0.06  -0.00    -0.11   0.06  -0.00    -0.03   0.00  -0.00
    12   6    -0.00   0.06   0.01     0.01  -0.11  -0.02     0.01  -0.10  -0.02
    13   6    -0.07  -0.04  -0.02     0.10   0.07   0.03     0.03  -0.00   0.00
    14   6     0.06  -0.05   0.00    -0.09   0.05   0.00    -0.11   0.03  -0.01
    15   1    -0.17  -0.13  -0.05     0.02   0.03  -0.01    -0.46  -0.31  -0.08
    16   1    -0.25   0.10  -0.02     0.19  -0.09   0.01    -0.26   0.12  -0.01
    17   1    -0.00  -0.02  -0.00    -0.00   0.09   0.02    -0.02   0.31   0.05
    18   1     0.12   0.08   0.03    -0.19  -0.11  -0.05     0.24   0.13   0.05
    19   1     0.12  -0.08  -0.02    -0.03   0.02  -0.02     0.50  -0.28   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.6928              1412.8236              1484.1459
 Red. masses --      1.2216                 1.2022                 1.7785
 Frc consts  --      1.4262                 1.4138                 2.3082
 IR Inten    --      6.0773                43.5650                 9.6824
 RamAct Fr= 1--      1.4678                 7.9540                 1.6535
  Dep-P Fr= 1--      0.7370                 0.4957                 0.6688
  Dep-U Fr= 1--      0.8486                 0.6628                 0.8015
 Alpha2 Fr= 1--      0.0003                 0.0401                 0.0024
 Beta2  Fr= 1--      0.2076                 0.8787                 0.2209
 AlphaG Fr= 1--      0.0014                -0.0584                 0.0152
 Gamma2 Fr= 1--     -0.2476                -1.1577                 4.2383
 Delta2 Fr= 1--     -0.2269                 1.0727                -1.7633
 Raman1 Fr= 1--       5.871                 31.816                  6.614
 ROA1   Fr= 1--     -31.026                -76.810                350.450
 CID1   Fr= 1--      -5.284                 -2.414                 52.987
 Raman2 Fr= 1--       2.491                 10.544                  2.651
 ROA2   Fr= 1--      -4.126                -36.366                115.826
 CID2   Fr= 1--      -1.656                 -3.449                 43.698
 Raman3 Fr= 1--       4.982                 21.089                  5.301
 ROA3   Fr= 1--     -31.026                -76.810                350.450
 CID3   Fr= 1--      -6.227                 -3.642                 66.108
 RC180  Fr= 1--       0.697                  0.326                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.02    -0.01  -0.00  -0.06    -0.01   0.00   0.00
     2   6    -0.00  -0.00  -0.01     0.04  -0.04   0.07     0.01   0.02   0.00
     3   1    -0.06   0.13  -0.04     0.19  -0.41   0.11    -0.01  -0.01   0.00
     4   1     0.08  -0.15   0.03    -0.44   0.68  -0.11     0.08  -0.05   0.01
     5   6     0.06   0.08  -0.09     0.00   0.03  -0.02     0.03  -0.03   0.01
     6   6    -0.01   0.00  -0.00    -0.01   0.01   0.00     0.02  -0.12  -0.02
     7   1    -0.29  -0.41   0.18     0.01  -0.18   0.07    -0.35   0.25  -0.04
     8   1    -0.39  -0.14   0.38     0.01   0.02   0.16    -0.02  -0.02  -0.29
     9   1    -0.01  -0.37   0.43    -0.00  -0.03   0.05    -0.03   0.08   0.28
    10   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.09   0.03  -0.00
    11   6     0.00   0.00   0.00     0.03  -0.01   0.00     0.11   0.01   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.10  -0.02
    13   6     0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.12  -0.01  -0.02
    14   6    -0.01   0.00   0.00     0.01   0.01   0.00     0.05   0.06   0.02
    15   1    -0.01  -0.01  -0.00    -0.04  -0.02  -0.01     0.12   0.17   0.04
    16   1    -0.01   0.01   0.00    -0.09   0.05  -0.00    -0.23   0.21   0.01
    17   1    -0.00   0.02   0.00    -0.01   0.08   0.01    -0.02   0.51   0.09
    18   1     0.02   0.01   0.00     0.09   0.05   0.02     0.28   0.25   0.08
    19   1     0.06  -0.03  -0.01     0.06  -0.02  -0.00    -0.05   0.12   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.0922              1493.4677              1534.0705
 Red. masses --      1.1869                 1.0487                 2.1773
 Frc consts  --      1.5589                 1.3781                 3.0190
 IR Inten    --      0.4295                11.4754                 9.5881
 RamAct Fr= 1--      3.1140                 4.4300                 0.5134
  Dep-P Fr= 1--      0.7436                 0.7076                 0.6868
  Dep-U Fr= 1--      0.8529                 0.8288                 0.8143
 Alpha2 Fr= 1--      0.0003                 0.0033                 0.0006
 Beta2  Fr= 1--      0.4427                 0.6119                 0.0697
 AlphaG Fr= 1--      0.0029                 0.0241                 0.0014
 Gamma2 Fr= 1--     -2.0805                 1.5094                -0.6041
 Delta2 Fr= 1--      0.0145                 0.8450                 0.2037
 Raman1 Fr= 1--      12.456                 17.720                  2.054
 ROA1   Fr= 1--    -199.261                171.941                -51.476
 CID1   Fr= 1--     -15.997                  9.703                -25.065
 Raman2 Fr= 1--       5.312                  7.343                  0.836
 ROA2   Fr= 1--     -50.046                 29.466                -16.128
 CID2   Fr= 1--      -9.421                  4.013                -19.287
 Raman3 Fr= 1--      10.624                 14.686                  1.672
 ROA3   Fr= 1--    -199.261                171.941                -51.476
 CID3   Fr= 1--     -18.756                 11.708                -30.779
 RC180  Fr= 1--       0.706                  0.658                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
     2   6    -0.03   0.03  -0.00    -0.02  -0.01  -0.02    -0.03  -0.00  -0.00
     3   1    -0.00   0.02  -0.01    -0.05   0.08  -0.03    -0.01  -0.01   0.00
     4   1     0.12  -0.09   0.02     0.09  -0.03  -0.04    -0.04  -0.00   0.00
     5   6    -0.04   0.03   0.01    -0.02  -0.02  -0.04    -0.01   0.00   0.00
     6   6     0.00  -0.05  -0.01     0.00  -0.00  -0.00     0.13   0.01   0.02
     7   1     0.58  -0.30   0.02    -0.16  -0.38   0.15     0.08  -0.04   0.00
     8   1    -0.04  -0.01   0.40     0.53   0.20   0.32     0.00   0.00   0.06
     9   1     0.07  -0.15  -0.50    -0.07   0.58   0.16     0.01  -0.00  -0.08
    10   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.06  -0.10  -0.02
    11   6     0.05   0.00   0.01     0.01  -0.00   0.00    -0.12   0.09   0.00
    12   6    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00     0.10   0.02   0.02
    13   6    -0.04   0.01  -0.00    -0.01   0.00  -0.00    -0.10  -0.11  -0.03
    14   6     0.04   0.01   0.01     0.01   0.00   0.00    -0.08   0.09   0.01
    15   1     0.01   0.05   0.01     0.00   0.01   0.00     0.38   0.16   0.06
    16   1    -0.12   0.10   0.00    -0.01   0.01  -0.00     0.44  -0.19   0.02
    17   1    -0.02   0.21   0.04    -0.00   0.02   0.00     0.13  -0.04   0.01
    18   1     0.06   0.08   0.02     0.01   0.01   0.00     0.42   0.19   0.08
    19   1    -0.06   0.07   0.00    -0.02   0.01   0.01     0.45  -0.16   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1629.0041              1650.0597              3026.4562
 Red. masses --      5.5328                 5.5341                 1.0471
 Frc consts  --      8.6505                 8.8776                 5.6507
 IR Inten    --      0.6841                 4.0958                10.9677
 RamAct Fr= 1--      9.7302                43.9540               253.7616
  Dep-P Fr= 1--      0.7086                 0.6341                 0.0359
  Dep-U Fr= 1--      0.8295                 0.7761                 0.0693
 Alpha2 Fr= 1--      0.0070                 0.0924                 5.1835
 Beta2  Fr= 1--      1.3451                 5.6853                 2.9293
 AlphaG Fr= 1--      0.0323                 0.0284                 0.5399
 Gamma2 Fr= 1--     -0.6331                -1.0639                 5.4294
 Delta2 Fr= 1--     -0.1120                 0.3155                 7.1113
 Raman1 Fr= 1--      38.921                175.816               1015.046
 ROA1   Fr= 1--     -64.359                -92.040                748.784
 CID1   Fr= 1--      -1.654                 -0.524                  0.738
 Raman2 Fr= 1--      16.141                 68.224                 35.151
 ROA2   Fr= 1--     -14.298                -28.058                 73.415
 CID2   Fr= 1--      -0.886                 -0.411                  2.089
 Raman3 Fr= 1--      32.283                136.447                 70.302
 ROA3   Fr= 1--     -64.359                -92.040                748.784
 CID3   Fr= 1--      -1.994                 -0.675                 10.651
 RC180  Fr= 1--       0.659                  0.552                 -0.861
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.04   0.00     0.03   0.00   0.01     0.01   0.01   0.03
     3   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01   0.01
     4   1     0.13  -0.05   0.01     0.04   0.02  -0.01    -0.07  -0.14  -0.34
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.05
     6   6     0.00  -0.29  -0.05    -0.21  -0.03  -0.03    -0.00   0.00   0.00
     7   1     0.02  -0.01   0.00    -0.03  -0.00   0.01     0.13   0.28   0.69
     8   1    -0.02  -0.01   0.03    -0.01  -0.00  -0.01     0.13  -0.32  -0.02
     9   1     0.01   0.00  -0.03    -0.00  -0.01   0.04    -0.39  -0.02  -0.08
    10   6     0.09   0.20   0.04     0.28   0.10   0.05    -0.00   0.00   0.00
    11   6     0.09  -0.21  -0.02    -0.27   0.06  -0.02    -0.00   0.00   0.00
    12   6    -0.03   0.36   0.06     0.14   0.00   0.02     0.00  -0.00  -0.00
    13   6    -0.05  -0.20  -0.04    -0.27  -0.08  -0.05     0.00  -0.00  -0.00
    14   6    -0.11   0.17   0.02     0.30  -0.07   0.02    -0.00  -0.00  -0.00
    15   1    -0.32  -0.05  -0.03    -0.28  -0.26  -0.07     0.00  -0.00  -0.00
    16   1    -0.26  -0.05  -0.04     0.25  -0.21  -0.00    -0.00  -0.00  -0.00
    17   1     0.02  -0.49  -0.08     0.15   0.02   0.02    -0.00  -0.00   0.00
    18   1     0.22  -0.05   0.02     0.24   0.25   0.07     0.00   0.00   0.00
    19   1     0.30  -0.03   0.02    -0.33   0.26   0.01     0.01   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3038.2243              3096.6057              3116.6657
 Red. masses --      1.0754                 1.0970                 1.1021
 Frc consts  --      5.8489                 6.1975                 6.3077
 IR Inten    --     19.6066                28.8179                23.8105
 RamAct Fr= 1--     59.5960               116.2952                90.1034
  Dep-P Fr= 1--      0.5186                 0.3142                 0.6791
  Dep-U Fr= 1--      0.6830                 0.4782                 0.8089
 Alpha2 Fr= 1--      0.2691                 1.1427                 0.1128
 Beta2  Fr= 1--      6.7839                 9.2680                12.1471
 AlphaG Fr= 1--      0.8035                -0.0254                -0.0416
 Gamma2 Fr= 1--      8.2555               -13.4802                -2.3587
 Delta2 Fr= 1--      0.6872               -11.2619                 2.1153
 Raman1 Fr= 1--     238.384                465.181                360.413
 ROA1   Fr= 1--     814.519              -1654.481               -158.751
 CID1   Fr= 1--       3.417                 -3.557                 -0.440
 Raman2 Fr= 1--      81.407                111.215                145.765
 ROA2   Fr= 1--     192.634               -233.429                -73.532
 CID2   Fr= 1--       2.366                 -2.099                 -0.504
 Raman3 Fr= 1--     162.813                222.431                291.529
 ROA3   Fr= 1--     814.519              -1654.481               -158.751
 CID3   Fr= 1--       5.003                 -7.438                 -0.545
 RC180  Fr= 1--       0.366                 -0.044                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.00  -0.00  -0.00
     3   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1     0.17   0.33   0.82     0.03   0.06   0.16    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.01    -0.04  -0.06  -0.05     0.07  -0.06   0.01
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.03   0.07   0.18     0.10   0.22   0.56     0.02  -0.01   0.01
     8   1     0.10  -0.22  -0.01    -0.20   0.44   0.01    -0.29   0.71   0.03
     9   1    -0.28  -0.01  -0.05     0.59   0.02   0.09    -0.62  -0.04  -0.11
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    19   1    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.03  -0.05  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3160.3657              3169.9116              3179.8401
 Red. masses --      1.0860                 1.0867                 1.0914
 Frc consts  --      6.3905                 6.4339                 6.5021
 IR Inten    --      7.1246                 0.4829                21.5036
 RamAct Fr= 1--     40.9832               115.5459                84.5247
  Dep-P Fr= 1--      0.5650                 0.5962                 0.6825
  Dep-U Fr= 1--      0.7221                 0.7470                 0.8113
 Alpha2 Fr= 1--      0.1435                 0.3300                 0.1004
 Beta2  Fr= 1--      4.9320                14.3852                11.4295
 AlphaG Fr= 1--     -0.1556                -0.0714                -0.1131
 Gamma2 Fr= 1--     -1.3407                 3.0858                -0.1859
 Delta2 Fr= 1--      0.7285                 1.0765                 1.6617
 Raman1 Fr= 1--     163.933                462.184                338.099
 ROA1   Fr= 1--    -105.392                330.682                 35.333
 CID1   Fr= 1--      -0.643                  0.715                  0.105
 Raman2 Fr= 1--      59.184                172.622                137.154
 ROA2   Fr= 1--     -38.004                 65.447                -17.755
 CID2   Fr= 1--      -0.642                  0.379                 -0.129
 Raman3 Fr= 1--     118.368                345.245                274.308
 ROA3   Fr= 1--    -105.392                330.682                 35.333
 CID3   Fr= 1--      -0.890                  0.958                  0.129
 RC180  Fr= 1--       0.444                  0.494                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   1    -0.02   0.06   0.00     0.01  -0.02  -0.00    -0.01   0.02   0.00
     9   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.02   0.00
    11   6    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    12   6     0.02   0.00   0.00     0.04   0.00   0.01    -0.03   0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.05  -0.00
    14   6    -0.03  -0.06  -0.02     0.01   0.03   0.01    -0.02  -0.03  -0.01
    15   1     0.02  -0.04  -0.00     0.11  -0.17  -0.01     0.11  -0.17  -0.01
    16   1     0.07   0.14   0.03     0.31   0.61   0.14     0.23   0.46   0.10
    17   1    -0.23  -0.01  -0.03    -0.53  -0.02  -0.07     0.33   0.01   0.04
    18   1     0.26  -0.41  -0.04     0.08  -0.12  -0.01    -0.36   0.55   0.06
    19   1     0.36   0.72   0.18    -0.17  -0.33  -0.08     0.16   0.32   0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.4005              3201.4134              3780.6753
 Red. masses --      1.0948                 1.0933                 1.0659
 Frc consts  --      6.5738                 6.6019                 8.9763
 IR Inten    --     19.7703                 7.7905                18.7187
 RamAct Fr= 1--    160.8223               196.5044                68.5208
  Dep-P Fr= 1--      0.1400                 0.1210                 0.1527
  Dep-U Fr= 1--      0.2457                 0.2159                 0.2650
 Alpha2 Fr= 1--      2.5495                 3.2668                 1.0519
 Beta2  Fr= 1--      6.5851                 7.0711                 3.0265
 AlphaG Fr= 1--     -0.3847                 0.3524                 1.5878
 Gamma2 Fr= 1--     -2.0371                 3.0351                10.5856
 Delta2 Fr= 1--     -4.4639                 2.7029                 2.4372
 Raman1 Fr= 1--     643.289                786.018                274.083
 ROA1   Fr= 1--    -338.401                377.860               1094.207
 CID1   Fr= 1--      -0.526                  0.481                  3.992
 Raman2 Fr= 1--      79.022                 84.854                 36.318
 ROA2   Fr= 1--     -13.178                 51.218                234.556
 CID2   Fr= 1--      -0.167                  0.604                  6.458
 Raman3 Fr= 1--     158.043                169.707                 72.636
 ROA3   Fr= 1--    -338.401                377.860               1094.207
 CID3   Fr= 1--      -2.141                  2.227                 15.064
 RC180  Fr= 1--      -0.509                 -0.568                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.02  -0.06
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.04   0.35   0.93
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.03   0.00     0.04  -0.06  -0.00     0.00  -0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
    12   6    -0.06  -0.00  -0.01    -0.02   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.04   0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.20  -0.32  -0.02    -0.47   0.73   0.05    -0.00   0.00   0.00
    16   1     0.09   0.19   0.04     0.17   0.34   0.08    -0.00  -0.00  -0.00
    17   1     0.69   0.03   0.08     0.24   0.01   0.03    -0.00   0.00   0.00
    18   1     0.29  -0.45  -0.05     0.07  -0.11  -0.01    -0.00   0.00  -0.00
    19   1    -0.08  -0.16  -0.04    -0.02  -0.04  -0.01     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.958741552.451131940.40871
           X            0.99974   0.02097  -0.00937
           Y           -0.02084   0.99969   0.01351
           Z            0.00965  -0.01331   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16626     0.05579     0.04464
 Rotational constants (GHZ):           3.46427     1.16251     0.93008
 Zero-point vibrational energy     422266.0 (Joules/Mol)
                                  100.92399 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.73   200.80   316.97   367.78   414.19
          (Kelvin)            468.95   571.55   596.61   672.40   761.77
                              883.12   918.20  1027.40  1087.63  1124.16
                             1232.92  1313.72  1327.23  1383.19  1408.10
                             1474.67  1482.82  1514.87  1536.80  1577.94
                             1620.81  1705.04  1735.19  1753.67  1847.91
                             1911.71  1932.26  1956.25  2025.36  2032.74
                             2135.35  2148.23  2148.77  2207.19  2343.77
                             2374.07  4354.40  4371.33  4455.32  4484.19
                             4547.06  4560.80  4575.08  4593.15  4606.12
                             5439.55
 
 Zero-point correction=                           0.160833 (Hartree/Particle)
 Thermal correction to Energy=                    0.169219
 Thermal correction to Enthalpy=                  0.170163
 Thermal correction to Gibbs Free Energy=         0.127253
 Sum of electronic and zero-point Energies=           -386.115055
 Sum of electronic and thermal Energies=              -386.106669
 Sum of electronic and thermal Enthalpies=            -386.105725
 Sum of electronic and thermal Free Energies=         -386.148635
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.186             32.278             90.312
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.841
 Vibrational            104.409             26.316             21.158
 Vibration     1          0.594              1.983              5.759
 Vibration     2          0.615              1.914              2.810
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.666              1.753              1.691
 Vibration     5          0.685              1.696              1.486
 Vibration     6          0.710              1.624              1.280
 Vibration     7          0.764              1.476              0.973
 Vibration     8          0.778              1.438              0.910
 Vibration     9          0.825              1.322              0.745
 Vibration    10          0.884              1.185              0.588
 Vibration    11          0.973              1.003              0.427
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.293651D-58        -58.532169       -134.775299
 Total V=0       0.279020D+16         15.445635         35.564888
 Vib (Bot)       0.123522D-71        -71.908256       -165.574878
 Vib (Bot)    1  0.665870D+01          0.823390          1.895925
 Vib (Bot)    2  0.145713D+01          0.163497          0.376467
 Vib (Bot)    3  0.897731D+00         -0.046854         -0.107884
 Vib (Bot)    4  0.761462D+00         -0.118352         -0.272515
 Vib (Bot)    5  0.665051D+00         -0.177145         -0.407892
 Vib (Bot)    6  0.574685D+00         -0.240570         -0.553933
 Vib (Bot)    7  0.449581D+00         -0.347192         -0.799440
 Vib (Bot)    8  0.425172D+00         -0.371436         -0.855262
 Vib (Bot)    9  0.361728D+00         -0.441618         -1.016863
 Vib (Bot)   10  0.302216D+00         -0.519682         -1.196613
 Vib (Bot)   11  0.239811D+00         -0.620130         -1.427903
 Vib (V=0)       0.117367D+03          2.069548          4.765310
 Vib (V=0)    1  0.717745D+01          0.855970          1.970944
 Vib (V=0)    2  0.204053D+01          0.309742          0.713207
 Vib (V=0)    3  0.152758D+01          0.184004          0.423685
 Vib (V=0)    4  0.141095D+01          0.149511          0.344261
 Vib (V=0)    5  0.133204D+01          0.124518          0.286712
 Vib (V=0)    6  0.126175D+01          0.100973          0.232500
 Vib (V=0)    7  0.117240D+01          0.069076          0.159054
 Vib (V=0)    8  0.115633D+01          0.063082          0.145252
 Vib (V=0)    9  0.111713D+01          0.048103          0.110761
 Vib (V=0)   10  0.108424D+01          0.035125          0.080878
 Vib (V=0)   11  0.105454D+01          0.023061          0.053100
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448438D+06          5.651703         13.013527
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333 33                                             11 1111111111111111111                                  
     7                2111110 00                                             66 54444433322211000009999 8 77 7 66  5 443  3222  1    
     8                0987619 32                                             52 39981064281082965327621 5 85 1 31  2 619  2852  4  3 
     1                1200077 86                                             09 43343803949657783159123 7 16 4 84  9 757  6860  0  1 
 
     X                XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX  X XXX  XXXX  X  X 
     X                 XX  XX XX                                                XX XX   X X  XXXXX    X   XX X     X       X         
     X                 XX  XX X                                                     X     X  XX XX        XX X     X       X         
                           XX                                                       X        XX XX           X             X         
                            X                                                       X        XX  X           X             X         
                                                                                    X                        X             X         
                                                                                    X                                      X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003977    0.000004629   -0.000001523
      2        6           0.000011934   -0.000010061   -0.000005846
      3        1           0.000000818   -0.000001981    0.000000317
      4        1          -0.000003004    0.000000651    0.000000631
      5        6          -0.000002483   -0.000000322    0.000005709
      6        6          -0.000002629    0.000003240    0.000004686
      7        1           0.000000722    0.000000557   -0.000001050
      8        1           0.000003061    0.000000745   -0.000000752
      9        1           0.000000724    0.000000788    0.000000622
     10        6           0.000012685    0.000005202    0.000005888
     11        6          -0.000013367    0.000002205   -0.000001977
     12        6          -0.000000073   -0.000012869   -0.000002348
     13        6           0.000010194    0.000006624    0.000002206
     14        6          -0.000013060    0.000004238   -0.000000216
     15        1          -0.000000491   -0.000002145   -0.000004862
     16        1           0.000002634   -0.000000488   -0.000000521
     17        1           0.000000174    0.000002285   -0.000000152
     18        1          -0.000002035   -0.000000934   -0.000000282
     19        1          -0.000001829   -0.000002364   -0.000000529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013367 RMS     0.000004960
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132200D+03  0.172697D+01  0.192291D+01
      2   0.172697D+01  0.109340D+03  0.542010D+01
      3   0.192291D+01  0.542010D+01  0.723350D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.644051D+00  0.381849D+00  0.715127D+01
      2   0.105733D+02  0.944365D+01 -0.497547D+00
      3  -0.604853D+01 -0.415497D+02 -0.900968D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.979745D+02  0.509671D+01  0.731192D+01
      2  -0.436708D+02 -0.140754D+02 -0.134372D+02
      3  -0.543037D+02  0.897870D+01  0.612533D+01
      4  -0.290700D+02  0.736935D+02  0.223892D+02
      5   0.292756D+02  0.238411D+02 -0.520309D+01
      6   0.872652D+01  0.115261D+02 -0.159450D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.280630D+01  0.242987D+01 -0.754958D+00  0.636993D+00 -0.235690D+01
      2   0.242987D+01 -0.132623D+01  0.114273D+01 -0.235690D+01  0.211730D+01
      3  -0.754958D+00  0.114273D+01  0.272725D+00  0.158215D+01 -0.234806D+01
                 6             7             8             9            10 
      1   0.158215D+01 -0.197278D+01  0.165356D+01 -0.310586D+00  0.513131D+01
      2  -0.234806D+01  0.165356D+01 -0.288049D+01 -0.902638D+00  0.210745D+01
      3  -0.204015D+01 -0.310586D+00 -0.902638D+00 -0.484608D+01  0.338356D-01
                11            12            13            14            15 
      1   0.210745D+01  0.338356D-01  0.781342D+01  0.444275D+01 -0.172909D+01
      2   0.196395D+01 -0.129349D+01  0.444275D+01  0.322523D+00  0.692950D+00
      3  -0.129349D+01  0.145704D+01 -0.172909D+01  0.692950D+00  0.510216D+01
                16            17            18            19            20 
      1  -0.524941D+00 -0.181130D+01  0.420659D+01 -0.678965D+00  0.482588D+00
      2  -0.181130D+01 -0.622474D+00  0.378765D+01  0.482588D+00 -0.572833D+00
      3   0.420659D+01  0.378765D+01  0.562390D+01  0.325101D+00 -0.275791D+00
                21            22            23            24            25 
      1   0.325101D+00  0.130077D+01 -0.952778D+00 -0.547999D+00  0.218409D+01
      2  -0.275791D+00 -0.952778D+00  0.258362D+01  0.115857D+01 -0.125518D+01
      3  -0.548623D+00 -0.547999D+00  0.115857D+01  0.179161D+01 -0.141743D+01
                26            27            28            29            30 
      1  -0.125518D+01 -0.141743D+01 -0.242191D+01 -0.794710D+00 -0.175480D+01
      2   0.301889D+01  0.232941D+01 -0.794710D+00 -0.610148D+00 -0.224541D+00
      3   0.232941D+01  0.452010D+01 -0.175480D+01 -0.224541D+00 -0.152596D+01
                31            32            33            34            35 
      1  -0.315446D+01 -0.177598D+01 -0.682485D+00 -0.461688D+01 -0.643414D+00
      2  -0.177598D+01 -0.126627D+01 -0.149362D+01 -0.643414D+00 -0.159697D+01
      3  -0.682485D+00 -0.149362D+01 -0.253201D+01 -0.316190D+01 -0.199359D+01
                36            37            38            39            40 
      1  -0.316190D+01  0.918175D+01  0.881039D+00  0.171966D+01 -0.348153D+01
      2  -0.199359D+01  0.881039D+00 -0.313722D+01  0.103172D+01 -0.380541D+01
      3  -0.780231D+01  0.171966D+01  0.103172D+01 -0.190752D+01  0.181427D+01
                41            42            43            44            45 
      1  -0.380541D+01  0.181427D+01  0.613043D+01  0.254046D+01 -0.229116D+01
      2   0.314813D+01  0.392462D+00  0.254046D+01  0.116354D+01 -0.310657D+01
      3   0.392462D+00 -0.359401D+01 -0.229116D+01 -0.310657D+01 -0.459460D+01
                46            47            48            49            50 
      1  -0.183903D+02 -0.278723D+01 -0.539468D+00 -0.368950D+01  0.201201D+01
      2  -0.278723D+01 -0.274199D+01 -0.850371D-01  0.201201D+01 -0.196730D+00
      3  -0.539468D+00 -0.850371D-01 -0.212715D+01  0.113529D+01  0.866076D-02
                51            52            53            54            55 
      1   0.113529D+01 -0.668666D+00  0.921672D+00 -0.371509D+01 -0.420484D+00
      2   0.866076D-02  0.921672D+00 -0.522298D-01 -0.612140D+00  0.160964D+00
      3  -0.550024D+00 -0.371509D+01 -0.612140D+00 -0.162583D+01  0.595624D+00
                56            57            58            59            60 
      1   0.160964D+00  0.595624D+00  0.106372D+01  0.140370D+00 -0.552235D+00
      2   0.621322D+00 -0.124663D+00  0.140370D+00  0.463843D+00  0.108263D+01
      3  -0.124663D+00  0.113817D+01 -0.552235D+00  0.108263D+01  0.237999D+01
                61            62            63            64            65 
      1   0.111757D+01  0.117254D+00 -0.636860D+00  0.609230D+00 -0.834990D+00
      2   0.117254D+00  0.143359D+01  0.687037D+00 -0.834990D+00  0.172675D+01
      3  -0.636860D+00  0.687037D+00  0.728201D+01 -0.302298D+00 -0.409883D+00
                66            67            68            69            70 
      1  -0.302298D+00 -0.181673D+01  0.538193D+00  0.136910D+00 -0.624378D+00
      2  -0.409883D+00  0.538193D+00 -0.761137D+01  0.689006D+00 -0.303252D+00
      3   0.614231D+00  0.136910D+00  0.689006D+00 -0.111113D+01  0.179045D+00
                71            72            73            74            75 
      1  -0.303252D+00  0.179045D+00 -0.144164D+02 -0.249826D+01  0.177426D+00
      2   0.211672D+00 -0.720075D+00 -0.249826D+01 -0.137600D+01  0.153972D+00
      3  -0.720075D+00  0.643593D+00  0.177426D+00  0.153972D+00 -0.122195D+01
                76            77            78            79            80 
      1  -0.466686D+00 -0.116363D+01 -0.215431D+00 -0.270608D+01 -0.572310D+00
      2  -0.116363D+01 -0.880009D+00 -0.511967D-01 -0.572310D+00 -0.606778D+00
      3  -0.215431D+00 -0.511967D-01  0.273568D+00 -0.105689D+01  0.361296D-01
                81            82            83            84            85 
      1  -0.105689D+01  0.546551D+01 -0.942016D+00  0.326429D+00  0.892712D+01
      2   0.361296D-01 -0.942016D+00 -0.379160D+01 -0.963797D+00  0.207308D+00
      3  -0.313758D-01  0.326429D+00 -0.963797D+00 -0.224999D+01 -0.418300D-01
                86            87            88            89            90 
      1   0.207308D+00 -0.418300D-01  0.292526D+01 -0.230416D+00 -0.188627D+01
      2   0.177959D+01 -0.465695D+00 -0.230416D+00 -0.131604D+01  0.355193D+01
      3  -0.465695D+00  0.214189D+01 -0.188627D+01  0.355193D+01  0.739505D+00
                91            92            93            94            95 
      1  -0.433768D+01 -0.449658D+00 -0.594513D+00  0.584267D+01  0.153904D+00
      2  -0.449658D+00  0.337190D+01 -0.202150D+00  0.153904D+00  0.115542D+01
      3  -0.594513D+00 -0.202150D+00  0.118656D+01 -0.197270D+00 -0.965546D+00
                96            97            98            99           100 
      1  -0.197270D+00  0.192895D+00 -0.103811D+01  0.226246D+01  0.647012D+01
      2  -0.965546D+00 -0.103811D+01 -0.758050D+00  0.405417D+01  0.376528D+00
      3   0.245405D+01  0.226246D+01  0.405417D+01  0.262916D+01 -0.690818D+00
               101           102           103           104           105 
      1   0.376528D+00 -0.690818D+00  0.995294D+00 -0.118555D+01 -0.122169D+01
      2   0.344060D+01  0.700847D-02 -0.118555D+01 -0.799887D-01 -0.355435D+00
      3   0.700847D-02  0.328528D+01 -0.122169D+01 -0.355435D+00 -0.737700D-01
               106           107           108           109           110 
      1  -0.209083D+00 -0.116569D+01  0.551312D+01 -0.341922D+01 -0.915875D-01
      2  -0.116569D+01  0.387249D+00  0.979299D-01 -0.915875D-01  0.304185D+01
      3   0.551312D+01  0.979299D-01  0.137138D+01 -0.511456D+00  0.900661D+00
               111           112           113           114           115 
      1  -0.511456D+00 -0.651938D+01 -0.418427D+00 -0.839444D+00 -0.223994D+01
      2   0.900661D+00 -0.418427D+00 -0.836545D+00  0.108598D+01 -0.166232D+00
      3   0.179587D+01 -0.839444D+00  0.108598D+01 -0.259175D+01  0.293987D+01
               116           117           118           119           120 
      1  -0.166232D+00  0.293987D+01  0.459805D+01  0.201727D+01  0.613142D+00
      2   0.160534D+01 -0.353002D+01  0.201727D+01 -0.348900D+01  0.454250D-01
      3  -0.353002D+01 -0.113381D+01  0.613142D+00  0.454250D-01 -0.153674D+01
               121           122           123           124           125 
      1  -0.746062D+01 -0.956523D+00  0.327404D+00 -0.562561D-01  0.964622D+00
      2  -0.956523D+00 -0.164601D+01  0.967847D+00  0.964622D+00  0.447979D+00
      3   0.327404D+00  0.967847D+00 -0.157589D+01 -0.935339D+00 -0.338339D+01
               126           127           128           129           130 
      1  -0.935339D+00 -0.287599D+01  0.211654D+01 -0.724924D-02  0.230181D+01
      2  -0.338339D+01  0.211654D+01 -0.258508D+01 -0.985732D-01 -0.284056D+01
      3  -0.253910D+01 -0.724924D-02 -0.985732D-01 -0.134517D+00 -0.221536D+00
               131           132           133           134           135 
      1  -0.284056D+01 -0.221536D+00 -0.326537D+00 -0.176359D-01  0.102294D+00
      2   0.709443D+01  0.433756D+00 -0.176359D-01  0.465169D+00  0.746798D-01
      3   0.433756D+00  0.651865D+00  0.102294D+00  0.746798D-01 -0.775920D-01
               136           137           138           139           140 
      1   0.291915D+01  0.305934D+01  0.754820D+00  0.278059D+01  0.422457D+01
      2   0.305934D+01  0.325842D+01  0.762736D+00  0.422457D+01  0.885733D+01
      3   0.754820D+00  0.762736D+00  0.529428D+00  0.862518D+00  0.169189D+01
               141           142           143           144           145 
      1   0.862518D+00  0.743378D+00  0.103210D+01  0.274967D+00  0.133821D+02
      2   0.169189D+01  0.103210D+01  0.184676D+01  0.308402D+00  0.385509D+00
      3   0.102674D+01  0.274967D+00  0.308402D+00  0.187069D+00  0.138285D+01
               146           147           148           149           150 
      1   0.385509D+00  0.138285D+01  0.283323D+00  0.158525D+01  0.337677D+00
      2   0.713000D+00  0.312023D-01  0.158525D+01  0.139904D+00  0.168152D+00
      3   0.312023D-01  0.885617D+00  0.337677D+00  0.168152D+00  0.921301D-01
               151           152           153           154           155 
      1   0.154847D+01  0.362291D+00  0.450242D-01  0.409637D+01 -0.365148D+01
      2   0.362291D+00  0.766387D-01  0.143208D-01 -0.365148D+01  0.363612D+01
      3   0.450242D-01  0.143208D-01  0.123570D+00 -0.315134D+00  0.268509D+00
               156           157           158           159           160 
      1  -0.315134D+00 -0.346054D+01  0.462655D+01  0.630910D+00 -0.220015D+00
      2   0.268509D+00  0.462655D+01 -0.769327D+01 -0.921137D+00  0.414432D+00
      3   0.439757D+00  0.630910D+00 -0.921137D+00 -0.747025D+00  0.514957D-01
               161           162           163           164           165 
      1   0.414432D+00  0.514957D-01 -0.208639D+01 -0.196717D+01 -0.458192D+00
      2  -0.103676D+01 -0.178061D+00 -0.196717D+01 -0.214382D+01 -0.666044D+00
      3  -0.178061D+00 -0.110851D+00 -0.458192D+00 -0.666044D+00 -0.352230D+00
               166           167           168           169           170 
      1  -0.189627D+01 -0.247514D+01 -0.578124D+00 -0.676535D+00 -0.802855D+00
      2  -0.247514D+01 -0.745190D+01 -0.177120D+01 -0.802855D+00 -0.178703D+01
      3  -0.578124D+00 -0.177120D+01 -0.109823D+01 -0.163346D+00 -0.515175D+00
               171 
      1  -0.163346D+00
      2  -0.515175D+00
      3  -0.358752D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.180351D+00 -0.529769D+00  0.766622D+00 -0.306852D+00  0.862572D-01
      2  -0.765572D+00 -0.417515D+00  0.458141D+01 -0.159729D+01  0.432422D+01
      3   0.284827D+01 -0.964307D+01  0.139069D+01  0.129957D+01  0.638425D+01
                 6             7             8             9            10 
      1  -0.459319D+00 -0.498576D+01  0.696224D+01  0.868531D+01 -0.262521D+01
      2   0.392273D+01 -0.956691D+00  0.461784D+01  0.118167D+02  0.196601D+01
      3  -0.560928D+01  0.416393D-01 -0.646666D+01 -0.297251D+01  0.752453D+01
                11            12            13            14            15 
      1   0.305373D-01  0.108221D+01 -0.120561D+01 -0.634255D+00  0.393745D+00
      2   0.218848D+01 -0.241168D+01  0.558507D+01  0.110051D+01 -0.811286D+01
      3   0.340563D+01 -0.592024D+00  0.143976D+02 -0.699363D+01  0.143488D+01
                16            17            18            19            20 
      1   0.486890D+01  0.516764D+01 -0.806294D+00 -0.509286D+00  0.436099D+00
      2  -0.163740D+02 -0.847599D+01 -0.904418D+01 -0.211135D+01  0.929230D+00
      3  -0.118481D+01 -0.186877D+01  0.749195D+01  0.273164D+01 -0.384328D+00
                21            22            23            24            25 
      1   0.583576D+00  0.116282D+01 -0.320477D+01 -0.422149D+01  0.352615D+01
      2   0.125867D+01  0.905977D+00 -0.347376D+01 -0.484523D+01  0.809867D+00
      3  -0.174414D+00  0.420094D+00  0.540762D+01  0.293586D+01 -0.776969D-01
                26            27            28            29            30 
      1  -0.320385D+01 -0.955095D+01 -0.746315D+00  0.120166D+01 -0.610615D+00
      2  -0.660942D+01 -0.116446D+02  0.174550D+01  0.412938D+00  0.331483D+01
      3   0.771334D+01  0.559881D+01 -0.175938D+01 -0.365427D+01 -0.352179D+00
                31            32            33            34            35 
      1   0.129184D+01  0.768128D+00 -0.998845D+00 -0.123477D+01  0.241936D+01
      2  -0.387362D+00  0.130601D+01  0.467744D+01  0.197283D+01  0.321750D+01
      3  -0.210078D+01 -0.126636D+01 -0.319346D+01 -0.123946D+00 -0.320672D+01
                36            37            38            39            40 
      1  -0.122118D+01  0.430010D+01 -0.224767D+01 -0.261449D+01  0.591525D+00
      2   0.129794D+02 -0.126025D+02 -0.444828D+01  0.723633D+01 -0.664123D+01
      3  -0.411100D+01 -0.874229D+01 -0.144129D+02  0.412087D+00 -0.874097D+01
                41            42            43            44            45 
      1   0.739445D+01 -0.707255D+01 -0.131404D+01 -0.291762D+01 -0.733690D+01
      2   0.133434D-01  0.843752D+01  0.238832D+01  0.788580D+01  0.132973D+02
      3   0.175528D+02 -0.354538D+00  0.241297D+01 -0.791969D+00 -0.705734D+01
                46            47            48            49            50 
      1   0.114700D+01 -0.913668D+00 -0.594912D+00 -0.382793D+01 -0.163280D+01
      2   0.162189D-01 -0.214122D+01 -0.685888D+00 -0.182519D+01  0.682860D+00
      3  -0.810757D+01  0.623126D+01  0.752636D+00  0.167457D+02 -0.171379D+00
                51            52            53            54            55 
      1   0.156640D+01  0.116646D+01  0.109612D+02  0.219860D+01  0.938912D+00
      2   0.110355D+01 -0.135708D+02  0.782967D+00  0.137539D+00 -0.178447D+01
      3   0.267083D+00 -0.211532D+00  0.228643D+01 -0.123196D+01  0.100155D+01
                56            57            58            59            60 
      1   0.108382D+01  0.101752D+01  0.133413D+00  0.256479D+01  0.217158D+01
      2  -0.217970D-01 -0.265033D+01 -0.895934D-01 -0.291088D+01 -0.592500D+01
      3   0.119925D+01 -0.773984D+00  0.121697D+01  0.965472D+00  0.284553D+01
                61            62            63            64            65 
      1  -0.468443D+00  0.534845D+01  0.974701D+01 -0.198548D+01  0.158286D+01
      2  -0.263489D+01 -0.256385D+01 -0.182535D+02 -0.295020D+00  0.129358D+01
      3  -0.947421D+00  0.406281D+01  0.274497D+01 -0.675424D+01  0.623237D+01
                66            67            68            69            70 
      1   0.162264D+01  0.142746D+01 -0.583287D+01 -0.307115D+01  0.649025D+00
      2  -0.923981D+00  0.133949D+01 -0.257537D+01  0.199728D+01 -0.141348D+01
      3   0.170276D+00  0.837734D+01 -0.214327D+02  0.142299D+01  0.844188D+00
                71            72            73            74            75 
      1   0.376570D+00  0.346643D+00 -0.428410D+00 -0.848888D+00 -0.194158D+01
      2   0.128646D+01 -0.147408D+01  0.749320D+01  0.784920D+00  0.683351D+01
      3   0.518237D+00 -0.237899D+01  0.937446D+01 -0.498828D+01  0.449478D+00
                76            77            78            79            80 
      1  -0.617490D+00 -0.663260D+00 -0.365171D+00 -0.129245D+01  0.706558D+00
      2   0.116660D+01  0.490829D+00 -0.407818D+00  0.231179D+01 -0.354953D+00
      3  -0.691646D+00 -0.196156D+01 -0.155290D+00  0.223584D+00 -0.961025D+00
                81            82            83            84            85 
      1   0.826191D-01 -0.136622D+01 -0.213011D+00  0.355983D+01 -0.889601D+00
      2   0.512768D+00  0.281130D+01 -0.241956D+00 -0.142820D+01  0.367186D+01
      3   0.155598D+01  0.634351D+01  0.500008D-01  0.209045D+01  0.593186D+01
                86            87            88            89            90 
      1  -0.843229D-01 -0.285886D+01  0.572894D+01  0.227466D+01  0.337842D+00
      2   0.128098D+01  0.231840D+00 -0.126861D+02  0.176142D+00 -0.411525D+00
      3  -0.542038D+01  0.226543D+00  0.167263D+01 -0.400132D+00 -0.528084D+01
                91            92            93            94            95 
      1   0.168918D+01  0.686978D+00 -0.228659D+01  0.863400D+00  0.182157D+00
      2  -0.524847D+00  0.137890D+01 -0.186151D+00  0.943017D+00 -0.307564D+01
      3  -0.293171D+01 -0.110937D+02 -0.241366D+01  0.523817D+01 -0.231238D+01
                96            97            98            99           100 
      1  -0.354418D+01 -0.569828D+01  0.168707D+01 -0.148368D+01  0.128486D+00
      2   0.716123D+01 -0.788504D+01  0.100880D+02  0.387622D+01 -0.251080D+00
      3   0.195158D+01  0.141516D-01  0.962142D+00 -0.547015D+01  0.660824D+00
               101           102           103           104           105 
      1  -0.843225D+00 -0.680654D+00 -0.954134D+00 -0.302022D+01  0.325241D+01
      2  -0.297782D+00  0.965278D+01 -0.375993D+01 -0.295664D+00 -0.579521D+00
      3  -0.786356D+01  0.371611D+00  0.130303D+02  0.347384D+01  0.203768D+01
               106           107           108           109           110 
      1  -0.837355D+00  0.115338D+02  0.258892D+01 -0.146873D+01 -0.285420D+00
      2   0.883623D+01  0.359864D+00  0.289883D+01 -0.749133D+00  0.278417D+01
      3   0.364005D+01  0.141627D+01  0.112644D+01 -0.286198D+01 -0.143139D+02
               111           112           113           114           115 
      1   0.328465D+01 -0.150182D+01  0.517544D+00 -0.302885D+01  0.677756D+01
      2   0.204422D+01 -0.880492D+00  0.343964D+01 -0.684978D+01 -0.578955D+01
      3  -0.250597D+01  0.424829D+01 -0.127249D+01 -0.246106D+01 -0.468932D+00
               116           117           118           119           120 
      1   0.268604D+01  0.132112D+01  0.135736D+00  0.114425D+01 -0.311411D+01
      2  -0.104376D+02 -0.377986D+01  0.342877D+01  0.145334D+01 -0.158075D+01
      3  -0.477999D+01  0.401224D+01  0.144079D+01 -0.629863D+00 -0.195447D+01
               121           122           123           124           125 
      1   0.164220D+01 -0.820919D+00 -0.286268D+01 -0.574707D+01  0.215054D+01
      2   0.128896D+01 -0.169123D+01 -0.109824D+01 -0.136138D+02 -0.113417D+01
      3   0.194926D+00  0.794948D+01  0.106480D+00 -0.449030D+01  0.153394D+00
               126           127           128           129           130 
      1  -0.121063D+01  0.428398D+00 -0.412430D+00  0.151056D+01  0.281250D+00
      2  -0.281751D+01  0.128933D+01 -0.388605D+00  0.257070D+00 -0.418729D+00
      3   0.597002D+01 -0.955327D+01  0.416416D+01 -0.191478D-01  0.776753D+01
               131           132           133           134           135 
      1  -0.311867D-01 -0.333196D+01 -0.562574D+00  0.193825D+01  0.267267D+00
      2   0.995798D+00 -0.900838D+00 -0.156192D+01  0.389649D+00 -0.130625D+00
      3  -0.668500D+01 -0.799530D+00 -0.725177D+00  0.172368D+00  0.661088D-01
               136           137           138           139           140 
      1  -0.241277D+00 -0.159342D-01 -0.191189D+01 -0.127066D+00  0.522049D+00
      2   0.577126D+00  0.919296D+00  0.210461D+01  0.767190D+00  0.273519D+01
      3  -0.102402D+01 -0.340793D+01 -0.569103D+00 -0.209325D+01 -0.132802D+02
               141           142           143           144           145 
      1  -0.402211D+01  0.603635D+00  0.202130D+01 -0.493041D+00 -0.100719D+00
      2   0.323425D+01 -0.533196D+00 -0.216707D+00  0.495471D+00  0.200564D+01
      3  -0.231286D+01 -0.412865D+00 -0.255006D+01 -0.271191D+00  0.197979D+00
               146           147           148           149           150 
      1   0.461555D+00 -0.183784D+00  0.260685D+00  0.611474D-02 -0.400221D+00
      2  -0.707921D-01  0.613411D+01  0.128395D+01  0.341801D+00  0.390475D+00
      3  -0.524496D+01  0.152010D+00 -0.383830D+01 -0.257828D+00 -0.421970D+00
               151           152           153           154           155 
      1   0.555275D-01  0.490544D+00 -0.125216D-01  0.313448D+00 -0.604839D+00
      2  -0.277608D+01  0.535051D-01  0.584554D+00  0.343989D+00 -0.374396D+00
      3  -0.126524D+01 -0.552105D+00 -0.268703D+00  0.118428D+01 -0.461108D+01
               156           157           158           159           160 
      1   0.203676D+01  0.205781D+00  0.177741D+00 -0.365998D+01 -0.833159D+00
      2   0.227708D+01  0.402380D+00 -0.101251D+01 -0.297875D+01 -0.731477D+00
      3  -0.548199D-01 -0.309210D+01  0.122054D+02  0.108905D+01 -0.757537D+00
               161           162           163           164           165 
      1   0.165173D+01 -0.304544D+00  0.570739D+00  0.287086D+00 -0.152575D+01
      2   0.619943D+00 -0.242524D+00 -0.163134D+01 -0.103255D+01  0.340429D+00
      3   0.197476D+01  0.247034D+00  0.756187D+01  0.429401D+01  0.910033D+00
               166           167           168           169           170 
      1   0.608318D+00  0.995430D+00 -0.365481D+01  0.462477D+00  0.241665D+01
      2  -0.175468D+01 -0.167612D+01  0.541736D+00 -0.189309D+01 -0.547735D+00
      3   0.778979D+01  0.797790D+01  0.195649D+01  0.181623D+01  0.231768D+01
               171 
      1  -0.445083D+00
      2   0.233293D+00
      3   0.229135D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.196768D+02 -0.488629D+01  0.307362D+01 -0.662510D+01  0.265101D+01
      2  -0.784704D+01 -0.890597D+00 -0.116617D+01 -0.102165D+01  0.872819D+01
      3  -0.118298D+02  0.577689D+01 -0.190744D+01  0.764675D+01 -0.113792D+02
      4  -0.169539D+02  0.189919D+02 -0.631752D+01  0.222553D+02 -0.178236D+02
      5   0.538014D+01 -0.563747D+01  0.817248D+01 -0.103436D+02  0.118732D+02
      6  -0.300203D+01  0.219471D+01 -0.278944D+01  0.385872D+01 -0.100696D+02
                 6             7             8             9            10 
      1   0.592436D+00  0.328380D+01  0.234344D+01  0.158655D+01  0.103921D+02
      2  -0.295746D+01 -0.197648D+01 -0.527497D+01 -0.700235D+01 -0.303725D+01
      3   0.236503D+01 -0.130732D+01  0.293153D+01  0.541581D+01 -0.735482D+01
      4   0.120721D+02 -0.107762D+02  0.148508D+02  0.434634D+01 -0.796201D+01
      5   0.624989D+01  0.648598D+01  0.390942D+01  0.241263D+02  0.113358D+00
      6   0.369960D+01  0.147687D+01  0.582912D-01 -0.139887D+02  0.195477D+01
                11            12            13            14            15 
      1   0.270856D+01 -0.239793D+01  0.222069D+01 -0.875758D+01  0.428893D+01
      2   0.424789D+00  0.101856D+01  0.565695D+01  0.453963D+01 -0.142132D+01
      3  -0.313335D+01  0.137936D+01 -0.787764D+01  0.421796D+01 -0.286761D+01
      4  -0.191536D+02  0.463852D+01 -0.296384D+02  0.295153D+01 -0.246036D+01
      5   0.522885D+01 -0.138591D+02  0.128283D+02 -0.244727D+01 -0.198225D+02
      6   0.324122D+01 -0.313581D+01  0.174826D+01  0.648548D+01 -0.100024D+02
                16            17            18            19            20 
      1   0.161973D+02  0.466473D+01 -0.164320D+01  0.350070D+01 -0.354269D+01
      2   0.659370D+00  0.432511D+01  0.917200D+01 -0.157100D+01  0.109414D+01
      3  -0.168567D+02 -0.898983D+01 -0.752880D+01 -0.192969D+01  0.244855D+01
      4   0.135868D+02  0.514516D+01 -0.202625D+02 -0.436877D+01  0.252831D+01
      5  -0.236645D+02 -0.187364D+02 -0.230732D+02 -0.230841D+01  0.201088D+01
      6  -0.125767D+02 -0.493332D+01 -0.396125D+01  0.147380D+01 -0.919350D-01
                21            22            23            24            25 
      1  -0.263939D+01 -0.404535D+01 -0.301944D+01 -0.150378D+01 -0.520681D+01
      2   0.547764D+00  0.325965D+00  0.589787D+01  0.327746D+01  0.230319D+01
      3   0.209162D+01  0.371938D+01 -0.287843D+01 -0.177368D+01  0.290362D+01
      4   0.268743D+01  0.676797D+01 -0.120844D+02 -0.612088D+01  0.863262D+01
      5   0.258564D+01  0.304579D+01 -0.564327D+01 -0.836312D+01  0.803233D+01
      6  -0.764066D+00 -0.175742D+01  0.515158D+01  0.730846D+01 -0.438752D+01
                26            27            28            29            30 
      1  -0.107102D+01 -0.279918D+01  0.561416D+01  0.127970D+01  0.433948D+01
      2   0.350625D+01  0.205793D+01 -0.687253D+01 -0.124210D+01 -0.466029D+01
      3  -0.243523D+01  0.741247D+00  0.125838D+01 -0.376022D-01  0.320812D+00
      4  -0.146938D+02 -0.117188D+02  0.488351D+01  0.708196D+01  0.238095D+01
      5  -0.112135D+02 -0.212572D+02  0.101466D+02  0.235138D+01  0.135446D+02
      6   0.915441D+01  0.133733D+02  0.264836D+01  0.424996D-01  0.180734D+01
                31            32            33            34            35 
      1   0.141353D+01 -0.232192D+01 -0.310167D+01  0.248050D+01 -0.288941D+01
      2  -0.305562D+01 -0.254652D+00 -0.448548D+00 -0.893769D+01 -0.270888D+01
      3   0.164209D+01  0.257657D+01  0.355022D+01  0.645720D+01  0.559829D+01
      4   0.106595D+02  0.605712D+01  0.691842D+01  0.373752D+01  0.730590D+01
      5   0.396148D+01  0.650954D+01  0.111155D+02  0.200254D+02  0.901804D+01
      6   0.273819D+01  0.481554D+01  0.957693D+01  0.571297D+01  0.660559D+01
                36            37            38            39            40 
      1  -0.104605D+02 -0.607190D+02 -0.169917D+02 -0.930992D+00 -0.668032D+01
      2  -0.149402D+02  0.255449D+02  0.155033D+02  0.369756D+01  0.591323D+01
      3   0.254007D+02  0.351741D+02  0.148843D+01 -0.276656D+01  0.767083D+00
      4   0.942482D+01 -0.181487D+02  0.136722D+02 -0.556543D+01  0.194748D+02
      5   0.336819D+02 -0.301304D+01 -0.309911D+01  0.117665D+02 -0.970565D+01
      6   0.107197D+02 -0.473360D+01 -0.692669D+01  0.464997D+01 -0.674908D+01
                41            42            43            44            45 
      1   0.212951D+02  0.226284D+01 -0.145726D+02 -0.757998D+00  0.130302D+02
      2  -0.227979D+02  0.688416D+01  0.697275D+01  0.392837D+01  0.800077D+01
      3   0.150277D+01 -0.914700D+01  0.759989D+01 -0.317037D+01 -0.210310D+02
      4  -0.825239D+01 -0.271233D+01 -0.177870D+02 -0.548845D+01  0.199749D+02
      5  -0.600532D+01  0.169249D+02  0.164180D+02  0.166946D+02  0.176936D+02
      6  -0.958108D+00  0.712283D+01  0.915312D+01  0.723652D+01 -0.190136D+01
                46            47            48            49            50 
      1  -0.186789D+02 -0.787292D-01  0.405093D+00  0.855600D+00 -0.398346D+01
      2   0.605282D+01  0.247311D-01 -0.369350D+00 -0.202923D+01  0.107100D+02
      3   0.126261D+02  0.539981D-01 -0.357429D-01  0.117363D+01 -0.672655D+01
      4   0.136855D+02  0.649152D+01  0.751108D+00 -0.808543D+01 -0.146953D+01
      5  -0.752067D+00  0.214344D+00  0.139908D+01 -0.371369D+01 -0.515303D-01
      6  -0.728205D+00 -0.768416D-01  0.184517D+00 -0.134654D+01  0.245178D+01
                51            52            53            54            55 
      1   0.483767D+00 -0.843203D+01 -0.766861D+00 -0.912970D+01  0.416640D+01
      2   0.418555D+01  0.172422D+01  0.112207D+01 -0.368024D+01 -0.411885D+01
      3  -0.466932D+01  0.670781D+01 -0.355209D+00  0.128099D+02 -0.475538D-01
      4  -0.775469D+00 -0.291757D+01 -0.202969D+01  0.324089D+01  0.674488D+00
      5   0.245378D+01  0.405901D+01  0.258105D+01  0.595733D+00 -0.246015D+01
      6  -0.330381D+01 -0.993531D+00  0.629234D+01 -0.252146D+01  0.229604D+00
                56            57            58            59            60 
      1   0.102273D+01 -0.625305D+01 -0.239043D+01 -0.456799D+01 -0.248303D+01
      2  -0.135505D+01  0.517161D+00  0.228755D+01  0.104199D+01 -0.576011D+01
      3   0.332326D+00  0.573589D+01  0.102876D+00  0.352601D+01  0.824314D+01
      4  -0.214162D+01 -0.409211D+00  0.574638D-02 -0.330170D+01 -0.538927D+01
      5   0.918230D+00 -0.505444D-01  0.436867D+01 -0.409768D+01 -0.108207D+02
      6   0.176616D+01 -0.119554D+01 -0.240155D+00  0.204849D+01  0.356198D+01
                61            62            63            64            65 
      1  -0.591339D+01 -0.895209D+00 -0.166466D+02 -0.123684D+01  0.930379D+01
      2   0.437469D+01 -0.423810D+01 -0.174692D+02  0.409022D+01 -0.993881D+01
      3   0.153870D+01  0.513331D+01  0.341158D+02 -0.285338D+01  0.635020D+00
      4  -0.237964D+01 -0.767469D+01 -0.575172D+01  0.134044D+01 -0.309289D+01
      5   0.815160D+01 -0.331866D+01 -0.311061D+02  0.182719D+01 -0.264607D+00
      6   0.617771D+00  0.405085D+01 -0.717003D+01 -0.548469D-01  0.297904D+01
                66            67            68            69            70 
      1  -0.975218D+00  0.963015D+01 -0.251356D+02  0.220856D+01  0.147916D+01
      2  -0.246638D-01 -0.676854D+01  0.379309D+02 -0.135023D+01 -0.680767D+00
      3   0.999881D+00 -0.286162D+01 -0.127953D+02 -0.858330D+00 -0.798391D+00
      4   0.134667D+01  0.399505D+01  0.299413D+02 -0.288313D+01  0.228073D+01
      5  -0.199087D+01 -0.320483D+01 -0.600414D+00  0.420901D+01  0.588505D+00
      6  -0.252082D+01  0.800054D+00 -0.101072D+02  0.620812D+01 -0.137222D+01
                71            72            73            74            75 
      1   0.167090D+01 -0.530945D+01  0.879565D+02  0.114228D+02  0.192973D+01
      2  -0.240490D+00  0.254179D+01 -0.421957D+02 -0.282130D+01  0.871448D+00
      3  -0.143041D+01  0.276766D+01 -0.457609D+02 -0.860148D+01 -0.280118D+01
      4  -0.264022D+00  0.154656D+01  0.332406D+02  0.159264D+02 -0.126641D+00
      5   0.214661D+01 -0.227875D+01 -0.106711D+02 -0.192879D+01  0.111167D+02
      6   0.638441D+01 -0.117298D+01 -0.794945D+00 -0.162930D+01  0.358782D+01
                76            77            78            79            80 
      1   0.156496D+01  0.500100D+01  0.317823D+00  0.115662D+02  0.128322D+01
      2   0.177223D+01  0.406944D+00 -0.647390D+00 -0.485870D+01 -0.218115D+00
      3  -0.333720D+01 -0.540795D+01  0.329567D+00 -0.670753D+01 -0.106511D+01
      4   0.127204D+02  0.703572D+01  0.436269D+00  0.523100D+01  0.340503D+01
      5   0.631555D+00 -0.202923D+00 -0.721107D+00  0.100497D+02  0.446672D+00
      6  -0.818510D+00 -0.693458D+00  0.925095D+00  0.301487D+01  0.856241D+00
                81            82            83            84            85 
      1   0.595838D+01  0.592315D+01  0.153792D+02  0.499965D+01 -0.294069D+01
      2  -0.517689D+01 -0.616755D+01 -0.101875D+02 -0.888829D+00  0.122031D+02
      3  -0.781486D+00  0.244398D+00 -0.519166D+01 -0.411082D+01 -0.926237D+01
      4   0.125377D+01  0.432955D+01 -0.139521D+02 -0.710995D-01  0.164438D+01
      5   0.385316D+00  0.201202D+01 -0.380254D+00 -0.174371D+01  0.241177D+01
      6   0.561230D+00  0.303809D+01 -0.260064D+01 -0.747722D+01  0.492356D+01
                86            87            88            89            90 
      1   0.111538D+01  0.199780D+01 -0.299277D+00  0.409028D+01 -0.151756D+02
      2  -0.676109D+01 -0.223143D+01  0.288673D+01 -0.599399D+01  0.292007D+01
      3   0.564571D+01  0.233631D+00 -0.258745D+01  0.190372D+01  0.122555D+02
      4   0.145160D+02  0.167561D+01 -0.347970D+00 -0.238161D+01  0.345666D+01
      5   0.149864D+01 -0.679106D+00  0.440188D+01  0.373057D+01 -0.196904D+01
      6  -0.286589D+01  0.709636D+01 -0.270742D+01  0.145370D+02 -0.268776D+00
                91            92            93            94            95 
      1   0.327031D+01 -0.220146D+02 -0.212824D+01  0.271278D+02  0.102088D+02
      2  -0.261328D+01  0.136667D+02  0.653842D+00 -0.262013D+02 -0.146122D+02
      3  -0.657033D+00  0.834793D+01  0.147440D+01 -0.926484D+00  0.440347D+01
      4  -0.108461D+02 -0.547770D+01 -0.516250D+01  0.716240D+01 -0.505304D+01
      5  -0.458593D+01 -0.477339D+01 -0.266565D+01 -0.870986D+00 -0.655006D+01
      6  -0.577311D+01 -0.288338D+01  0.569400D+01 -0.544536D+01 -0.944103D+01
                96            97            98            99           100 
      1   0.157561D+01  0.264274D+01 -0.342673D+01 -0.536899D+01 -0.107909D+02
      2  -0.643494D+01 -0.654366D+01 -0.470444D+01 -0.565334D+01  0.598913D+01
      3   0.485932D+01  0.390091D+01  0.813117D+01  0.110223D+02  0.480173D+01
      4  -0.642785D+01 -0.526638D+01 -0.963213D+01  0.150812D+02 -0.180593D+01
      5   0.149958D+02  0.146699D+02  0.153522D+02  0.806601D+01 -0.914839D+01
      6   0.661297D+01  0.564874D+01  0.147547D+02  0.416070D+01  0.521846D+00
               101           102           103           104           105 
      1  -0.847594D+00 -0.811501D+01  0.460840D+01 -0.207602D+02 -0.619473D+01
      2   0.763343D+00  0.413030D+01 -0.248817D+01  0.183903D+02  0.945753D+01
      3   0.842507D-01  0.398471D+01 -0.212024D+01  0.236992D+01 -0.326280D+01
      4   0.255928D+02  0.361098D+00 -0.223288D+02 -0.646819D+01 -0.360271D+01
      5   0.271654D+00  0.215940D+02 -0.106081D+02 -0.249969D+01 -0.128814D+01
      6   0.813362D+00  0.152505D+01 -0.312257D+01  0.373491D+01 -0.660884D+01
               106           107           108           109           110 
      1  -0.967481D+01 -0.662316D+01  0.143295D+02  0.288690D+01  0.230978D+02
      2   0.349247D+01  0.510830D+01 -0.184959D+02 -0.534071D+01 -0.132084D+02
      3   0.618234D+01  0.151485D+01  0.416640D+01  0.245381D+01 -0.988932D+01
      4  -0.113674D+02  0.940870D+00 -0.831306D+00  0.186661D+02  0.231973D+01
      5   0.360569D+02  0.205348D+00  0.633545D+01 -0.167932D+00  0.447824D+01
      6   0.755064D-01  0.620214D+01 -0.429349D+01  0.270991D+01 -0.241362D+01
               111           112           113           114           115 
      1   0.530322D+01 -0.270850D+02  0.585766D+01  0.159639D+01 -0.813383D+01
      2   0.708095D+00  0.270292D+02 -0.113045D+02 -0.172455D+01  0.876564D+01
      3  -0.601131D+01  0.558116D-01  0.544688D+01  0.128161D+00 -0.631803D+00
      4   0.513857D+01  0.608982D+01  0.129150D+02  0.894120D+01  0.236086D+01
      5   0.445391D+01 -0.312487D+01  0.795341D+01 -0.143488D+02  0.190613D+02
      6  -0.770220D+01  0.676080D+01 -0.574617D+01  0.746189D+01 -0.723477D+01
               116           117           118           119           120 
      1   0.650770D+01  0.588335D+00  0.694792D+01 -0.130048D+02  0.881639D-01
      2  -0.868606D+01 -0.714011D+01 -0.612594D+01  0.969763D+01 -0.246509D+01
      3   0.217836D+01  0.655177D+01 -0.821978D+00  0.330714D+01  0.237692D+01
      4   0.731228D+01 -0.155432D+02 -0.965868D+01 -0.197299D+02 -0.427043D+01
      5  -0.153023D+02 -0.782038D+01  0.611323D+00 -0.406618D+01 -0.502006D+01
      6   0.139592D+02 -0.733719D+00 -0.297678D+01 -0.291545D+01  0.672201D+01
               121           122           123           124           125 
      1   0.395305D+01  0.671274D+01  0.457175D+01  0.178649D+01  0.127841D+01
      2  -0.107151D+02 -0.100783D+02 -0.618509D+01 -0.423172D+01 -0.703955D+01
      3   0.676207D+01  0.336560D+01  0.161333D+01  0.244523D+01  0.576114D+01
      4   0.116180D+02 -0.134693D+02 -0.215142D+01  0.236408D+00 -0.475767D+01
      5  -0.141874D+00 -0.223211D+01 -0.721402D+00 -0.124899D+00 -0.546233D+01
      6  -0.547864D+01 -0.955139D+01  0.397850D+01  0.350939D+01  0.119851D+02
               126           127           128           129           130 
      1  -0.158793D+02 -0.429690D+01  0.776785D+01  0.841951D-01  0.881860D+01
      2   0.707074D+00  0.657201D+01 -0.110522D+02 -0.342311D+00 -0.120102D+02
      3   0.151722D+02 -0.227511D+01  0.328432D+01  0.258116D+00  0.319158D+01
      4  -0.641220D+01 -0.769453D+01  0.757995D+01  0.562474D+00  0.733156D+01
      5  -0.597547D+01 -0.503101D+00  0.830077D+00  0.948653D+00  0.907668D+00
      6   0.504076D+01 -0.202095D+00  0.108076D+00 -0.149086D+01 -0.950330D+00
               131           132           133           134           135 
      1  -0.256742D+02 -0.191628D+01  0.498308D+00 -0.162288D+01 -0.582720D+00
      2   0.350934D+02  0.164669D+01 -0.940731D+00  0.233559D+01  0.142147D+01
      3  -0.941923D+01  0.269589D+00  0.442424D+00 -0.712710D+00 -0.838749D+00
      4  -0.747545D+01 -0.454458D+00 -0.170646D-01 -0.664283D-02 -0.122911D+01
      5  -0.957093D+00 -0.992289D+00  0.329206D+00 -0.570896D+00 -0.638996D-02
      6   0.247961D+01  0.508009D+01 -0.350815D+00  0.140485D+01  0.182147D+00
               136           137           138           139           140 
      1   0.858119D+01  0.699653D+01  0.129460D+01  0.826850D+00 -0.102830D+02
      2   0.220818D+01  0.438098D+01  0.173726D+00  0.112725D+02  0.321740D+02
      3  -0.107894D+02 -0.113775D+02 -0.146833D+01 -0.120994D+02 -0.218910D+02
      4   0.230812D+02  0.265687D+02  0.552891D+01  0.281521D+02  0.485378D+02
      5   0.500703D+01  0.543178D+01  0.522695D+01  0.548703D+01  0.864323D+01
      6   0.379024D+01  0.427656D+01  0.307632D+01  0.538522D+01  0.109987D+02
               141           142           143           144           145 
      1  -0.200214D+01  0.113695D+01 -0.114976D+01 -0.726495D+00  0.102424D+03
      2   0.403638D+01  0.158665D+01  0.520673D+01  0.199038D+01 -0.588517D+02
      3  -0.203425D+01 -0.272360D+01 -0.405698D+01 -0.126389D+01 -0.435727D+02
      4   0.899202D+01  0.705203D+01  0.106545D+02  0.317791D+01  0.355903D+01
      5   0.550985D+01  0.220553D+01  0.266421D+01  0.187979D+01  0.133557D+02
      6   0.790893D+01  0.208610D+01  0.373769D+01  0.254959D+01 -0.202240D+01
               146           147           148           149           150 
      1   0.296835D+01  0.884743D+01  0.154601D+01  0.950708D+01  0.141877D+01
      2  -0.148479D+01 -0.603413D+01 -0.732862D+00 -0.473321D+01 -0.134051D+01
      3  -0.148356D+01 -0.281331D+01 -0.813146D+00 -0.477387D+01 -0.782638D-01
      4   0.827924D+01  0.154340D+00  0.152603D+02  0.111010D+01  0.140557D+01
      5   0.250554D+00  0.102399D+02  0.285421D+01  0.151835D+01  0.678927D+00
      6   0.559651D+00 -0.818467D-01  0.109683D+01 -0.182358D+00  0.174109D+01
               151           152           153           154           155 
      1   0.114875D+02  0.168419D+01  0.317683D+01  0.155828D+02 -0.107673D+02
      2  -0.679554D+01 -0.110255D+01 -0.181925D+01 -0.110574D+00 -0.350762D+01
      3  -0.469194D+01 -0.581638D+00 -0.135759D+01 -0.154722D+02  0.142749D+02
      4   0.293900D+01  0.121651D+01  0.601334D+00 -0.296705D+02  0.305058D+02
      5   0.273424D+01  0.406668D+00  0.207630D+01 -0.348767D+01  0.257810D+01
      6   0.801920D-01  0.589313D+00  0.445387D+00  0.109134D+01 -0.907851D+00
               156           157           158           159           160 
      1  -0.138478D+01 -0.550768D+01 -0.158854D+01 -0.925091D-01  0.653361D+00
      2   0.240308D+00 -0.966928D+01  0.241626D+02  0.135676D+01 -0.169319D+01
      3   0.114447D+01  0.151770D+02 -0.225740D+02 -0.126425D+01  0.103983D+01
      4   0.240014D+01  0.332941D+02 -0.485657D+02 -0.571259D+01  0.312169D+01
      5   0.477648D+01  0.457970D+01 -0.623492D+01 -0.491133D+01  0.166072D+01
      6  -0.257534D+01 -0.300855D+01  0.472668D+01  0.592011D+01 -0.129057D+01
               161           162           163           164           165 
      1  -0.135092D+01 -0.474763D+00 -0.493459D+01 -0.751088D+01 -0.297672D+01
      2   0.337161D+01  0.139376D+01  0.626173D+01  0.898150D+01  0.211013D+01
      3  -0.202069D+01 -0.918992D+00 -0.132714D+01 -0.147063D+01  0.866585D+00
      4  -0.518354D+01 -0.226061D+01  0.537571D+01  0.734886D+01  0.139272D+01
      5  -0.147321D+01 -0.583447D+00  0.567267D+00  0.100581D+01  0.184008D+01
      6   0.207160D+01  0.133515D+01  0.283006D+01  0.446444D+01  0.248612D+01
               166           167           168           169           170 
      1  -0.844237D+01 -0.291499D+02 -0.763394D+01 -0.226145D+01 -0.658233D+01
      2   0.105338D+02  0.372523D+02  0.688383D+01  0.261084D+01  0.768971D+01
      3  -0.209147D+01 -0.810241D+01  0.750109D+00 -0.349382D+00 -0.110738D+01
      4   0.582094D+01  0.262592D+01  0.172224D+00  0.168063D+01  0.128116D+01
      5   0.637408D+00 -0.474140D+00  0.530728D+00  0.105890D+01  0.648773D+00
      6   0.352843D+01  0.121425D+02  0.804707D+01  0.126497D+01  0.439268D+01
               171 
      1  -0.269659D+01
      2   0.294890D+01
      3  -0.252306D+00
      4   0.190505D+01
      5   0.115251D+01
      6   0.306385D+01
 Leave Link  716 at Thu Aug 12 19:59:00 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132200D+03  0.172697D+01  0.192291D+01
      2   0.172697D+01  0.109340D+03  0.542010D+01
      3   0.192291D+01  0.542010D+01  0.723350D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.644051D+00  0.381849D+00  0.715127D+01
      2   0.105733D+02  0.944365D+01 -0.497547D+00
      3  -0.604853D+01 -0.415497D+02 -0.900968D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.979745D+02  0.509671D+01  0.731192D+01
      2  -0.436708D+02 -0.140754D+02 -0.134372D+02
      3  -0.543037D+02  0.897870D+01  0.612533D+01
      4  -0.290700D+02  0.736935D+02  0.223892D+02
      5   0.292756D+02  0.238411D+02 -0.520309D+01
      6   0.872652D+01  0.115261D+02 -0.159450D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.280630D+01  0.242987D+01 -0.754958D+00  0.636993D+00 -0.235690D+01
      2   0.242987D+01 -0.132623D+01  0.114273D+01 -0.235690D+01  0.211730D+01
      3  -0.754958D+00  0.114273D+01  0.272725D+00  0.158215D+01 -0.234806D+01
                 6             7             8             9            10 
      1   0.158215D+01 -0.197278D+01  0.165356D+01 -0.310586D+00  0.513131D+01
      2  -0.234806D+01  0.165356D+01 -0.288049D+01 -0.902638D+00  0.210745D+01
      3  -0.204015D+01 -0.310586D+00 -0.902638D+00 -0.484608D+01  0.338356D-01
                11            12            13            14            15 
      1   0.210745D+01  0.338356D-01  0.781342D+01  0.444275D+01 -0.172909D+01
      2   0.196395D+01 -0.129349D+01  0.444275D+01  0.322523D+00  0.692950D+00
      3  -0.129349D+01  0.145704D+01 -0.172909D+01  0.692950D+00  0.510216D+01
                16            17            18            19            20 
      1  -0.524941D+00 -0.181130D+01  0.420659D+01 -0.678965D+00  0.482588D+00
      2  -0.181130D+01 -0.622474D+00  0.378765D+01  0.482588D+00 -0.572833D+00
      3   0.420659D+01  0.378765D+01  0.562390D+01  0.325101D+00 -0.275791D+00
                21            22            23            24            25 
      1   0.325101D+00  0.130077D+01 -0.952778D+00 -0.547999D+00  0.218409D+01
      2  -0.275791D+00 -0.952778D+00  0.258362D+01  0.115857D+01 -0.125518D+01
      3  -0.548623D+00 -0.547999D+00  0.115857D+01  0.179161D+01 -0.141743D+01
                26            27            28            29            30 
      1  -0.125518D+01 -0.141743D+01 -0.242191D+01 -0.794710D+00 -0.175480D+01
      2   0.301889D+01  0.232941D+01 -0.794710D+00 -0.610148D+00 -0.224541D+00
      3   0.232941D+01  0.452010D+01 -0.175480D+01 -0.224541D+00 -0.152596D+01
                31            32            33            34            35 
      1  -0.315446D+01 -0.177598D+01 -0.682485D+00 -0.461688D+01 -0.643414D+00
      2  -0.177598D+01 -0.126627D+01 -0.149362D+01 -0.643414D+00 -0.159697D+01
      3  -0.682485D+00 -0.149362D+01 -0.253201D+01 -0.316190D+01 -0.199359D+01
                36            37            38            39            40 
      1  -0.316190D+01  0.918175D+01  0.881039D+00  0.171966D+01 -0.348153D+01
      2  -0.199359D+01  0.881039D+00 -0.313722D+01  0.103172D+01 -0.380541D+01
      3  -0.780231D+01  0.171966D+01  0.103172D+01 -0.190752D+01  0.181427D+01
                41            42            43            44            45 
      1  -0.380541D+01  0.181427D+01  0.613043D+01  0.254046D+01 -0.229116D+01
      2   0.314813D+01  0.392462D+00  0.254046D+01  0.116354D+01 -0.310657D+01
      3   0.392462D+00 -0.359401D+01 -0.229116D+01 -0.310657D+01 -0.459460D+01
                46            47            48            49            50 
      1  -0.183903D+02 -0.278723D+01 -0.539468D+00 -0.368950D+01  0.201201D+01
      2  -0.278723D+01 -0.274199D+01 -0.850371D-01  0.201201D+01 -0.196730D+00
      3  -0.539468D+00 -0.850371D-01 -0.212715D+01  0.113529D+01  0.866076D-02
                51            52            53            54            55 
      1   0.113529D+01 -0.668666D+00  0.921672D+00 -0.371509D+01 -0.420484D+00
      2   0.866076D-02  0.921672D+00 -0.522298D-01 -0.612140D+00  0.160964D+00
      3  -0.550024D+00 -0.371509D+01 -0.612140D+00 -0.162583D+01  0.595624D+00
                56            57            58            59            60 
      1   0.160964D+00  0.595624D+00  0.106372D+01  0.140370D+00 -0.552235D+00
      2   0.621322D+00 -0.124663D+00  0.140370D+00  0.463843D+00  0.108263D+01
      3  -0.124663D+00  0.113817D+01 -0.552235D+00  0.108263D+01  0.237999D+01
                61            62            63            64            65 
      1   0.111757D+01  0.117254D+00 -0.636860D+00  0.609230D+00 -0.834990D+00
      2   0.117254D+00  0.143359D+01  0.687037D+00 -0.834990D+00  0.172675D+01
      3  -0.636860D+00  0.687037D+00  0.728201D+01 -0.302298D+00 -0.409883D+00
                66            67            68            69            70 
      1  -0.302298D+00 -0.181673D+01  0.538193D+00  0.136910D+00 -0.624378D+00
      2  -0.409883D+00  0.538193D+00 -0.761137D+01  0.689006D+00 -0.303252D+00
      3   0.614231D+00  0.136910D+00  0.689006D+00 -0.111113D+01  0.179045D+00
                71            72            73            74            75 
      1  -0.303252D+00  0.179045D+00 -0.144164D+02 -0.249826D+01  0.177426D+00
      2   0.211672D+00 -0.720075D+00 -0.249826D+01 -0.137600D+01  0.153972D+00
      3  -0.720075D+00  0.643593D+00  0.177426D+00  0.153972D+00 -0.122195D+01
                76            77            78            79            80 
      1  -0.466686D+00 -0.116363D+01 -0.215431D+00 -0.270608D+01 -0.572310D+00
      2  -0.116363D+01 -0.880009D+00 -0.511967D-01 -0.572310D+00 -0.606778D+00
      3  -0.215431D+00 -0.511967D-01  0.273568D+00 -0.105689D+01  0.361296D-01
                81            82            83            84            85 
      1  -0.105689D+01  0.546551D+01 -0.942016D+00  0.326429D+00  0.892712D+01
      2   0.361296D-01 -0.942016D+00 -0.379160D+01 -0.963797D+00  0.207308D+00
      3  -0.313758D-01  0.326429D+00 -0.963797D+00 -0.224999D+01 -0.418300D-01
                86            87            88            89            90 
      1   0.207308D+00 -0.418300D-01  0.292526D+01 -0.230416D+00 -0.188627D+01
      2   0.177959D+01 -0.465695D+00 -0.230416D+00 -0.131604D+01  0.355193D+01
      3  -0.465695D+00  0.214189D+01 -0.188627D+01  0.355193D+01  0.739505D+00
                91            92            93            94            95 
      1  -0.433768D+01 -0.449658D+00 -0.594513D+00  0.584267D+01  0.153904D+00
      2  -0.449658D+00  0.337190D+01 -0.202150D+00  0.153904D+00  0.115542D+01
      3  -0.594513D+00 -0.202150D+00  0.118656D+01 -0.197270D+00 -0.965546D+00
                96            97            98            99           100 
      1  -0.197270D+00  0.192895D+00 -0.103811D+01  0.226246D+01  0.647012D+01
      2  -0.965546D+00 -0.103811D+01 -0.758050D+00  0.405417D+01  0.376528D+00
      3   0.245405D+01  0.226246D+01  0.405417D+01  0.262916D+01 -0.690818D+00
               101           102           103           104           105 
      1   0.376528D+00 -0.690818D+00  0.995294D+00 -0.118555D+01 -0.122169D+01
      2   0.344060D+01  0.700847D-02 -0.118555D+01 -0.799887D-01 -0.355435D+00
      3   0.700847D-02  0.328528D+01 -0.122169D+01 -0.355435D+00 -0.737700D-01
               106           107           108           109           110 
      1  -0.209083D+00 -0.116569D+01  0.551312D+01 -0.341922D+01 -0.915875D-01
      2  -0.116569D+01  0.387249D+00  0.979299D-01 -0.915875D-01  0.304185D+01
      3   0.551312D+01  0.979299D-01  0.137138D+01 -0.511456D+00  0.900661D+00
               111           112           113           114           115 
      1  -0.511456D+00 -0.651938D+01 -0.418427D+00 -0.839444D+00 -0.223994D+01
      2   0.900661D+00 -0.418427D+00 -0.836545D+00  0.108598D+01 -0.166232D+00
      3   0.179587D+01 -0.839444D+00  0.108598D+01 -0.259175D+01  0.293987D+01
               116           117           118           119           120 
      1  -0.166232D+00  0.293987D+01  0.459805D+01  0.201727D+01  0.613142D+00
      2   0.160534D+01 -0.353002D+01  0.201727D+01 -0.348900D+01  0.454250D-01
      3  -0.353002D+01 -0.113381D+01  0.613142D+00  0.454250D-01 -0.153674D+01
               121           122           123           124           125 
      1  -0.746062D+01 -0.956523D+00  0.327404D+00 -0.562561D-01  0.964622D+00
      2  -0.956523D+00 -0.164601D+01  0.967847D+00  0.964622D+00  0.447979D+00
      3   0.327404D+00  0.967847D+00 -0.157589D+01 -0.935339D+00 -0.338339D+01
               126           127           128           129           130 
      1  -0.935339D+00 -0.287599D+01  0.211654D+01 -0.724924D-02  0.230181D+01
      2  -0.338339D+01  0.211654D+01 -0.258508D+01 -0.985732D-01 -0.284056D+01
      3  -0.253910D+01 -0.724924D-02 -0.985732D-01 -0.134517D+00 -0.221536D+00
               131           132           133           134           135 
      1  -0.284056D+01 -0.221536D+00 -0.326537D+00 -0.176359D-01  0.102294D+00
      2   0.709443D+01  0.433756D+00 -0.176359D-01  0.465169D+00  0.746798D-01
      3   0.433756D+00  0.651865D+00  0.102294D+00  0.746798D-01 -0.775920D-01
               136           137           138           139           140 
      1   0.291915D+01  0.305934D+01  0.754820D+00  0.278059D+01  0.422457D+01
      2   0.305934D+01  0.325842D+01  0.762736D+00  0.422457D+01  0.885733D+01
      3   0.754820D+00  0.762736D+00  0.529428D+00  0.862518D+00  0.169189D+01
               141           142           143           144           145 
      1   0.862518D+00  0.743378D+00  0.103210D+01  0.274967D+00  0.133821D+02
      2   0.169189D+01  0.103210D+01  0.184676D+01  0.308402D+00  0.385509D+00
      3   0.102674D+01  0.274967D+00  0.308402D+00  0.187069D+00  0.138285D+01
               146           147           148           149           150 
      1   0.385509D+00  0.138285D+01  0.283323D+00  0.158525D+01  0.337677D+00
      2   0.713000D+00  0.312023D-01  0.158525D+01  0.139904D+00  0.168152D+00
      3   0.312023D-01  0.885617D+00  0.337677D+00  0.168152D+00  0.921301D-01
               151           152           153           154           155 
      1   0.154847D+01  0.362291D+00  0.450242D-01  0.409637D+01 -0.365148D+01
      2   0.362291D+00  0.766387D-01  0.143208D-01 -0.365148D+01  0.363612D+01
      3   0.450242D-01  0.143208D-01  0.123570D+00 -0.315134D+00  0.268509D+00
               156           157           158           159           160 
      1  -0.315134D+00 -0.346054D+01  0.462655D+01  0.630910D+00 -0.220015D+00
      2   0.268509D+00  0.462655D+01 -0.769327D+01 -0.921137D+00  0.414432D+00
      3   0.439757D+00  0.630910D+00 -0.921137D+00 -0.747025D+00  0.514957D-01
               161           162           163           164           165 
      1   0.414432D+00  0.514957D-01 -0.208639D+01 -0.196717D+01 -0.458192D+00
      2  -0.103676D+01 -0.178061D+00 -0.196717D+01 -0.214382D+01 -0.666044D+00
      3  -0.178061D+00 -0.110851D+00 -0.458192D+00 -0.666044D+00 -0.352230D+00
               166           167           168           169           170 
      1  -0.189627D+01 -0.247514D+01 -0.578124D+00 -0.676535D+00 -0.802855D+00
      2  -0.247514D+01 -0.745190D+01 -0.177120D+01 -0.802855D+00 -0.178703D+01
      3  -0.578124D+00 -0.177120D+01 -0.109823D+01 -0.163346D+00 -0.515175D+00
               171 
      1  -0.163346D+00
      2  -0.515175D+00
      3  -0.358752D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.180351D+00 -0.529769D+00  0.766622D+00 -0.306852D+00  0.862572D-01
      2  -0.765572D+00 -0.417515D+00  0.458141D+01 -0.159729D+01  0.432422D+01
      3   0.284827D+01 -0.964307D+01  0.139069D+01  0.129957D+01  0.638425D+01
                 6             7             8             9            10 
      1  -0.459319D+00 -0.498576D+01  0.696224D+01  0.868531D+01 -0.262521D+01
      2   0.392273D+01 -0.956691D+00  0.461784D+01  0.118167D+02  0.196601D+01
      3  -0.560928D+01  0.416393D-01 -0.646666D+01 -0.297251D+01  0.752453D+01
                11            12            13            14            15 
      1   0.305373D-01  0.108221D+01 -0.120561D+01 -0.634255D+00  0.393745D+00
      2   0.218848D+01 -0.241168D+01  0.558507D+01  0.110051D+01 -0.811286D+01
      3   0.340563D+01 -0.592024D+00  0.143976D+02 -0.699363D+01  0.143488D+01
                16            17            18            19            20 
      1   0.486890D+01  0.516764D+01 -0.806294D+00 -0.509286D+00  0.436099D+00
      2  -0.163740D+02 -0.847599D+01 -0.904418D+01 -0.211135D+01  0.929230D+00
      3  -0.118481D+01 -0.186877D+01  0.749195D+01  0.273164D+01 -0.384328D+00
                21            22            23            24            25 
      1   0.583576D+00  0.116282D+01 -0.320477D+01 -0.422149D+01  0.352615D+01
      2   0.125867D+01  0.905977D+00 -0.347376D+01 -0.484523D+01  0.809867D+00
      3  -0.174414D+00  0.420094D+00  0.540762D+01  0.293586D+01 -0.776969D-01
                26            27            28            29            30 
      1  -0.320385D+01 -0.955095D+01 -0.746315D+00  0.120166D+01 -0.610615D+00
      2  -0.660942D+01 -0.116446D+02  0.174550D+01  0.412938D+00  0.331483D+01
      3   0.771334D+01  0.559881D+01 -0.175938D+01 -0.365427D+01 -0.352179D+00
                31            32            33            34            35 
      1   0.129184D+01  0.768128D+00 -0.998845D+00 -0.123477D+01  0.241936D+01
      2  -0.387362D+00  0.130601D+01  0.467744D+01  0.197283D+01  0.321750D+01
      3  -0.210078D+01 -0.126636D+01 -0.319346D+01 -0.123946D+00 -0.320672D+01
                36            37            38            39            40 
      1  -0.122118D+01  0.430010D+01 -0.224767D+01 -0.261449D+01  0.591525D+00
      2   0.129794D+02 -0.126025D+02 -0.444828D+01  0.723633D+01 -0.664123D+01
      3  -0.411100D+01 -0.874229D+01 -0.144129D+02  0.412087D+00 -0.874097D+01
                41            42            43            44            45 
      1   0.739445D+01 -0.707255D+01 -0.131404D+01 -0.291762D+01 -0.733690D+01
      2   0.133434D-01  0.843752D+01  0.238832D+01  0.788580D+01  0.132973D+02
      3   0.175528D+02 -0.354538D+00  0.241297D+01 -0.791969D+00 -0.705734D+01
                46            47            48            49            50 
      1   0.114700D+01 -0.913668D+00 -0.594912D+00 -0.382793D+01 -0.163280D+01
      2   0.162189D-01 -0.214122D+01 -0.685888D+00 -0.182519D+01  0.682860D+00
      3  -0.810757D+01  0.623126D+01  0.752636D+00  0.167457D+02 -0.171379D+00
                51            52            53            54            55 
      1   0.156640D+01  0.116646D+01  0.109612D+02  0.219860D+01  0.938912D+00
      2   0.110355D+01 -0.135708D+02  0.782967D+00  0.137539D+00 -0.178447D+01
      3   0.267083D+00 -0.211532D+00  0.228643D+01 -0.123196D+01  0.100155D+01
                56            57            58            59            60 
      1   0.108382D+01  0.101752D+01  0.133413D+00  0.256479D+01  0.217158D+01
      2  -0.217970D-01 -0.265033D+01 -0.895934D-01 -0.291088D+01 -0.592500D+01
      3   0.119925D+01 -0.773984D+00  0.121697D+01  0.965472D+00  0.284553D+01
                61            62            63            64            65 
      1  -0.468443D+00  0.534845D+01  0.974701D+01 -0.198548D+01  0.158286D+01
      2  -0.263489D+01 -0.256385D+01 -0.182535D+02 -0.295020D+00  0.129358D+01
      3  -0.947421D+00  0.406281D+01  0.274497D+01 -0.675424D+01  0.623237D+01
                66            67            68            69            70 
      1   0.162264D+01  0.142746D+01 -0.583287D+01 -0.307115D+01  0.649025D+00
      2  -0.923981D+00  0.133949D+01 -0.257537D+01  0.199728D+01 -0.141348D+01
      3   0.170276D+00  0.837734D+01 -0.214327D+02  0.142299D+01  0.844188D+00
                71            72            73            74            75 
      1   0.376570D+00  0.346643D+00 -0.428410D+00 -0.848888D+00 -0.194158D+01
      2   0.128646D+01 -0.147408D+01  0.749320D+01  0.784920D+00  0.683351D+01
      3   0.518237D+00 -0.237899D+01  0.937446D+01 -0.498828D+01  0.449478D+00
                76            77            78            79            80 
      1  -0.617490D+00 -0.663260D+00 -0.365171D+00 -0.129245D+01  0.706558D+00
      2   0.116660D+01  0.490829D+00 -0.407818D+00  0.231179D+01 -0.354953D+00
      3  -0.691646D+00 -0.196156D+01 -0.155290D+00  0.223584D+00 -0.961025D+00
                81            82            83            84            85 
      1   0.826191D-01 -0.136622D+01 -0.213011D+00  0.355983D+01 -0.889601D+00
      2   0.512768D+00  0.281130D+01 -0.241956D+00 -0.142820D+01  0.367186D+01
      3   0.155598D+01  0.634351D+01  0.500008D-01  0.209045D+01  0.593186D+01
                86            87            88            89            90 
      1  -0.843229D-01 -0.285886D+01  0.572894D+01  0.227466D+01  0.337842D+00
      2   0.128098D+01  0.231840D+00 -0.126861D+02  0.176142D+00 -0.411525D+00
      3  -0.542038D+01  0.226543D+00  0.167263D+01 -0.400132D+00 -0.528084D+01
                91            92            93            94            95 
      1   0.168918D+01  0.686978D+00 -0.228659D+01  0.863400D+00  0.182157D+00
      2  -0.524847D+00  0.137890D+01 -0.186151D+00  0.943017D+00 -0.307564D+01
      3  -0.293171D+01 -0.110937D+02 -0.241366D+01  0.523817D+01 -0.231238D+01
                96            97            98            99           100 
      1  -0.354418D+01 -0.569828D+01  0.168707D+01 -0.148368D+01  0.128486D+00
      2   0.716123D+01 -0.788504D+01  0.100880D+02  0.387622D+01 -0.251080D+00
      3   0.195158D+01  0.141516D-01  0.962142D+00 -0.547015D+01  0.660824D+00
               101           102           103           104           105 
      1  -0.843225D+00 -0.680654D+00 -0.954134D+00 -0.302022D+01  0.325241D+01
      2  -0.297782D+00  0.965278D+01 -0.375993D+01 -0.295664D+00 -0.579521D+00
      3  -0.786356D+01  0.371611D+00  0.130303D+02  0.347384D+01  0.203768D+01
               106           107           108           109           110 
      1  -0.837355D+00  0.115338D+02  0.258892D+01 -0.146873D+01 -0.285420D+00
      2   0.883623D+01  0.359864D+00  0.289883D+01 -0.749133D+00  0.278417D+01
      3   0.364005D+01  0.141627D+01  0.112644D+01 -0.286198D+01 -0.143139D+02
               111           112           113           114           115 
      1   0.328465D+01 -0.150182D+01  0.517544D+00 -0.302885D+01  0.677756D+01
      2   0.204422D+01 -0.880492D+00  0.343964D+01 -0.684978D+01 -0.578955D+01
      3  -0.250597D+01  0.424829D+01 -0.127249D+01 -0.246106D+01 -0.468932D+00
               116           117           118           119           120 
      1   0.268604D+01  0.132112D+01  0.135736D+00  0.114425D+01 -0.311411D+01
      2  -0.104376D+02 -0.377986D+01  0.342877D+01  0.145334D+01 -0.158075D+01
      3  -0.477999D+01  0.401224D+01  0.144079D+01 -0.629863D+00 -0.195447D+01
               121           122           123           124           125 
      1   0.164220D+01 -0.820919D+00 -0.286268D+01 -0.574707D+01  0.215054D+01
      2   0.128896D+01 -0.169123D+01 -0.109824D+01 -0.136138D+02 -0.113417D+01
      3   0.194926D+00  0.794948D+01  0.106480D+00 -0.449030D+01  0.153394D+00
               126           127           128           129           130 
      1  -0.121063D+01  0.428398D+00 -0.412430D+00  0.151056D+01  0.281250D+00
      2  -0.281751D+01  0.128933D+01 -0.388605D+00  0.257070D+00 -0.418729D+00
      3   0.597002D+01 -0.955327D+01  0.416416D+01 -0.191478D-01  0.776753D+01
               131           132           133           134           135 
      1  -0.311867D-01 -0.333196D+01 -0.562574D+00  0.193825D+01  0.267267D+00
      2   0.995798D+00 -0.900838D+00 -0.156192D+01  0.389649D+00 -0.130625D+00
      3  -0.668500D+01 -0.799530D+00 -0.725177D+00  0.172368D+00  0.661088D-01
               136           137           138           139           140 
      1  -0.241277D+00 -0.159342D-01 -0.191189D+01 -0.127066D+00  0.522049D+00
      2   0.577126D+00  0.919296D+00  0.210461D+01  0.767190D+00  0.273519D+01
      3  -0.102402D+01 -0.340793D+01 -0.569103D+00 -0.209325D+01 -0.132802D+02
               141           142           143           144           145 
      1  -0.402211D+01  0.603635D+00  0.202130D+01 -0.493041D+00 -0.100719D+00
      2   0.323425D+01 -0.533196D+00 -0.216707D+00  0.495471D+00  0.200564D+01
      3  -0.231286D+01 -0.412865D+00 -0.255006D+01 -0.271191D+00  0.197979D+00
               146           147           148           149           150 
      1   0.461555D+00 -0.183784D+00  0.260685D+00  0.611474D-02 -0.400221D+00
      2  -0.707921D-01  0.613411D+01  0.128395D+01  0.341801D+00  0.390475D+00
      3  -0.524496D+01  0.152010D+00 -0.383830D+01 -0.257828D+00 -0.421970D+00
               151           152           153           154           155 
      1   0.555275D-01  0.490544D+00 -0.125216D-01  0.313448D+00 -0.604839D+00
      2  -0.277608D+01  0.535051D-01  0.584554D+00  0.343989D+00 -0.374396D+00
      3  -0.126524D+01 -0.552105D+00 -0.268703D+00  0.118428D+01 -0.461108D+01
               156           157           158           159           160 
      1   0.203676D+01  0.205781D+00  0.177741D+00 -0.365998D+01 -0.833159D+00
      2   0.227708D+01  0.402380D+00 -0.101251D+01 -0.297875D+01 -0.731477D+00
      3  -0.548199D-01 -0.309210D+01  0.122054D+02  0.108905D+01 -0.757537D+00
               161           162           163           164           165 
      1   0.165173D+01 -0.304544D+00  0.570739D+00  0.287086D+00 -0.152575D+01
      2   0.619943D+00 -0.242524D+00 -0.163134D+01 -0.103255D+01  0.340429D+00
      3   0.197476D+01  0.247034D+00  0.756187D+01  0.429401D+01  0.910033D+00
               166           167           168           169           170 
      1   0.608318D+00  0.995430D+00 -0.365481D+01  0.462477D+00  0.241665D+01
      2  -0.175468D+01 -0.167612D+01  0.541736D+00 -0.189309D+01 -0.547735D+00
      3   0.778979D+01  0.797790D+01  0.195649D+01  0.181623D+01  0.231768D+01
               171 
      1  -0.445083D+00
      2   0.233293D+00
      3   0.229135D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.196768D+02 -0.488629D+01  0.307362D+01 -0.662510D+01  0.265101D+01
      2  -0.784704D+01 -0.890597D+00 -0.116617D+01 -0.102165D+01  0.872819D+01
      3  -0.118298D+02  0.577689D+01 -0.190744D+01  0.764675D+01 -0.113792D+02
      4  -0.169539D+02  0.189919D+02 -0.631752D+01  0.222553D+02 -0.178236D+02
      5   0.538014D+01 -0.563747D+01  0.817248D+01 -0.103436D+02  0.118732D+02
      6  -0.300203D+01  0.219471D+01 -0.278944D+01  0.385872D+01 -0.100696D+02
                 6             7             8             9            10 
      1   0.592436D+00  0.328380D+01  0.234344D+01  0.158655D+01  0.103921D+02
      2  -0.295746D+01 -0.197648D+01 -0.527497D+01 -0.700235D+01 -0.303725D+01
      3   0.236503D+01 -0.130732D+01  0.293153D+01  0.541581D+01 -0.735482D+01
      4   0.120721D+02 -0.107762D+02  0.148508D+02  0.434634D+01 -0.796201D+01
      5   0.624989D+01  0.648598D+01  0.390942D+01  0.241263D+02  0.113358D+00
      6   0.369960D+01  0.147687D+01  0.582912D-01 -0.139887D+02  0.195477D+01
                11            12            13            14            15 
      1   0.270856D+01 -0.239793D+01  0.222069D+01 -0.875758D+01  0.428893D+01
      2   0.424789D+00  0.101856D+01  0.565695D+01  0.453963D+01 -0.142132D+01
      3  -0.313335D+01  0.137936D+01 -0.787764D+01  0.421796D+01 -0.286761D+01
      4  -0.191536D+02  0.463852D+01 -0.296384D+02  0.295153D+01 -0.246036D+01
      5   0.522885D+01 -0.138591D+02  0.128283D+02 -0.244727D+01 -0.198225D+02
      6   0.324122D+01 -0.313581D+01  0.174826D+01  0.648548D+01 -0.100024D+02
                16            17            18            19            20 
      1   0.161973D+02  0.466473D+01 -0.164320D+01  0.350070D+01 -0.354269D+01
      2   0.659370D+00  0.432511D+01  0.917200D+01 -0.157100D+01  0.109414D+01
      3  -0.168567D+02 -0.898983D+01 -0.752880D+01 -0.192969D+01  0.244855D+01
      4   0.135868D+02  0.514516D+01 -0.202625D+02 -0.436877D+01  0.252831D+01
      5  -0.236645D+02 -0.187364D+02 -0.230732D+02 -0.230841D+01  0.201088D+01
      6  -0.125767D+02 -0.493332D+01 -0.396125D+01  0.147380D+01 -0.919350D-01
                21            22            23            24            25 
      1  -0.263939D+01 -0.404535D+01 -0.301944D+01 -0.150378D+01 -0.520681D+01
      2   0.547764D+00  0.325965D+00  0.589787D+01  0.327746D+01  0.230319D+01
      3   0.209162D+01  0.371938D+01 -0.287843D+01 -0.177368D+01  0.290362D+01
      4   0.268743D+01  0.676797D+01 -0.120844D+02 -0.612088D+01  0.863262D+01
      5   0.258564D+01  0.304579D+01 -0.564327D+01 -0.836312D+01  0.803233D+01
      6  -0.764066D+00 -0.175742D+01  0.515158D+01  0.730846D+01 -0.438752D+01
                26            27            28            29            30 
      1  -0.107102D+01 -0.279918D+01  0.561416D+01  0.127970D+01  0.433948D+01
      2   0.350625D+01  0.205793D+01 -0.687253D+01 -0.124210D+01 -0.466029D+01
      3  -0.243523D+01  0.741247D+00  0.125838D+01 -0.376022D-01  0.320812D+00
      4  -0.146938D+02 -0.117188D+02  0.488351D+01  0.708196D+01  0.238095D+01
      5  -0.112135D+02 -0.212572D+02  0.101466D+02  0.235138D+01  0.135446D+02
      6   0.915441D+01  0.133733D+02  0.264836D+01  0.424996D-01  0.180734D+01
                31            32            33            34            35 
      1   0.141353D+01 -0.232192D+01 -0.310167D+01  0.248050D+01 -0.288941D+01
      2  -0.305562D+01 -0.254652D+00 -0.448548D+00 -0.893769D+01 -0.270888D+01
      3   0.164209D+01  0.257657D+01  0.355022D+01  0.645720D+01  0.559829D+01
      4   0.106595D+02  0.605712D+01  0.691842D+01  0.373752D+01  0.730590D+01
      5   0.396148D+01  0.650954D+01  0.111155D+02  0.200254D+02  0.901804D+01
      6   0.273819D+01  0.481554D+01  0.957693D+01  0.571297D+01  0.660559D+01
                36            37            38            39            40 
      1  -0.104605D+02 -0.607190D+02 -0.169917D+02 -0.930992D+00 -0.668032D+01
      2  -0.149402D+02  0.255449D+02  0.155033D+02  0.369756D+01  0.591323D+01
      3   0.254007D+02  0.351741D+02  0.148843D+01 -0.276656D+01  0.767083D+00
      4   0.942482D+01 -0.181487D+02  0.136722D+02 -0.556543D+01  0.194748D+02
      5   0.336819D+02 -0.301304D+01 -0.309911D+01  0.117665D+02 -0.970565D+01
      6   0.107197D+02 -0.473360D+01 -0.692669D+01  0.464997D+01 -0.674908D+01
                41            42            43            44            45 
      1   0.212951D+02  0.226284D+01 -0.145726D+02 -0.757998D+00  0.130302D+02
      2  -0.227979D+02  0.688416D+01  0.697275D+01  0.392837D+01  0.800077D+01
      3   0.150277D+01 -0.914700D+01  0.759989D+01 -0.317037D+01 -0.210310D+02
      4  -0.825239D+01 -0.271233D+01 -0.177870D+02 -0.548845D+01  0.199749D+02
      5  -0.600532D+01  0.169249D+02  0.164180D+02  0.166946D+02  0.176936D+02
      6  -0.958108D+00  0.712283D+01  0.915312D+01  0.723652D+01 -0.190136D+01
                46            47            48            49            50 
      1  -0.186789D+02 -0.787292D-01  0.405093D+00  0.855600D+00 -0.398346D+01
      2   0.605282D+01  0.247311D-01 -0.369350D+00 -0.202923D+01  0.107100D+02
      3   0.126261D+02  0.539981D-01 -0.357429D-01  0.117363D+01 -0.672655D+01
      4   0.136855D+02  0.649152D+01  0.751108D+00 -0.808543D+01 -0.146953D+01
      5  -0.752067D+00  0.214344D+00  0.139908D+01 -0.371369D+01 -0.515303D-01
      6  -0.728205D+00 -0.768416D-01  0.184517D+00 -0.134654D+01  0.245178D+01
                51            52            53            54            55 
      1   0.483767D+00 -0.843203D+01 -0.766861D+00 -0.912970D+01  0.416640D+01
      2   0.418555D+01  0.172422D+01  0.112207D+01 -0.368024D+01 -0.411885D+01
      3  -0.466932D+01  0.670781D+01 -0.355209D+00  0.128099D+02 -0.475538D-01
      4  -0.775469D+00 -0.291757D+01 -0.202969D+01  0.324089D+01  0.674488D+00
      5   0.245378D+01  0.405901D+01  0.258105D+01  0.595733D+00 -0.246015D+01
      6  -0.330381D+01 -0.993531D+00  0.629234D+01 -0.252146D+01  0.229604D+00
                56            57            58            59            60 
      1   0.102273D+01 -0.625305D+01 -0.239043D+01 -0.456799D+01 -0.248303D+01
      2  -0.135505D+01  0.517161D+00  0.228755D+01  0.104199D+01 -0.576011D+01
      3   0.332326D+00  0.573589D+01  0.102876D+00  0.352601D+01  0.824314D+01
      4  -0.214162D+01 -0.409211D+00  0.574638D-02 -0.330170D+01 -0.538927D+01
      5   0.918230D+00 -0.505444D-01  0.436867D+01 -0.409768D+01 -0.108207D+02
      6   0.176616D+01 -0.119554D+01 -0.240155D+00  0.204849D+01  0.356198D+01
                61            62            63            64            65 
      1  -0.591339D+01 -0.895209D+00 -0.166466D+02 -0.123684D+01  0.930379D+01
      2   0.437469D+01 -0.423810D+01 -0.174692D+02  0.409022D+01 -0.993881D+01
      3   0.153870D+01  0.513331D+01  0.341158D+02 -0.285338D+01  0.635020D+00
      4  -0.237964D+01 -0.767469D+01 -0.575172D+01  0.134044D+01 -0.309289D+01
      5   0.815160D+01 -0.331866D+01 -0.311061D+02  0.182719D+01 -0.264607D+00
      6   0.617771D+00  0.405085D+01 -0.717003D+01 -0.548469D-01  0.297904D+01
                66            67            68            69            70 
      1  -0.975218D+00  0.963015D+01 -0.251356D+02  0.220856D+01  0.147916D+01
      2  -0.246638D-01 -0.676854D+01  0.379309D+02 -0.135023D+01 -0.680767D+00
      3   0.999881D+00 -0.286162D+01 -0.127953D+02 -0.858330D+00 -0.798391D+00
      4   0.134667D+01  0.399505D+01  0.299413D+02 -0.288313D+01  0.228073D+01
      5  -0.199087D+01 -0.320483D+01 -0.600414D+00  0.420901D+01  0.588505D+00
      6  -0.252082D+01  0.800054D+00 -0.101072D+02  0.620812D+01 -0.137222D+01
                71            72            73            74            75 
      1   0.167090D+01 -0.530945D+01  0.879565D+02  0.114228D+02  0.192973D+01
      2  -0.240490D+00  0.254179D+01 -0.421957D+02 -0.282130D+01  0.871448D+00
      3  -0.143041D+01  0.276766D+01 -0.457609D+02 -0.860148D+01 -0.280118D+01
      4  -0.264022D+00  0.154656D+01  0.332406D+02  0.159264D+02 -0.126641D+00
      5   0.214661D+01 -0.227875D+01 -0.106711D+02 -0.192879D+01  0.111167D+02
      6   0.638441D+01 -0.117298D+01 -0.794945D+00 -0.162930D+01  0.358782D+01
                76            77            78            79            80 
      1   0.156496D+01  0.500100D+01  0.317823D+00  0.115662D+02  0.128322D+01
      2   0.177223D+01  0.406944D+00 -0.647390D+00 -0.485870D+01 -0.218115D+00
      3  -0.333720D+01 -0.540795D+01  0.329567D+00 -0.670753D+01 -0.106511D+01
      4   0.127204D+02  0.703572D+01  0.436269D+00  0.523100D+01  0.340503D+01
      5   0.631555D+00 -0.202923D+00 -0.721107D+00  0.100497D+02  0.446672D+00
      6  -0.818510D+00 -0.693458D+00  0.925095D+00  0.301487D+01  0.856241D+00
                81            82            83            84            85 
      1   0.595838D+01  0.592315D+01  0.153792D+02  0.499965D+01 -0.294069D+01
      2  -0.517689D+01 -0.616755D+01 -0.101875D+02 -0.888829D+00  0.122031D+02
      3  -0.781486D+00  0.244398D+00 -0.519166D+01 -0.411082D+01 -0.926237D+01
      4   0.125377D+01  0.432955D+01 -0.139521D+02 -0.710995D-01  0.164438D+01
      5   0.385316D+00  0.201202D+01 -0.380254D+00 -0.174371D+01  0.241177D+01
      6   0.561230D+00  0.303809D+01 -0.260064D+01 -0.747722D+01  0.492356D+01
                86            87            88            89            90 
      1   0.111538D+01  0.199780D+01 -0.299277D+00  0.409028D+01 -0.151756D+02
      2  -0.676109D+01 -0.223143D+01  0.288673D+01 -0.599399D+01  0.292007D+01
      3   0.564571D+01  0.233631D+00 -0.258745D+01  0.190372D+01  0.122555D+02
      4   0.145160D+02  0.167561D+01 -0.347970D+00 -0.238161D+01  0.345666D+01
      5   0.149864D+01 -0.679106D+00  0.440188D+01  0.373057D+01 -0.196904D+01
      6  -0.286589D+01  0.709636D+01 -0.270742D+01  0.145370D+02 -0.268776D+00
                91            92            93            94            95 
      1   0.327031D+01 -0.220146D+02 -0.212824D+01  0.271278D+02  0.102088D+02
      2  -0.261328D+01  0.136667D+02  0.653842D+00 -0.262013D+02 -0.146122D+02
      3  -0.657033D+00  0.834793D+01  0.147440D+01 -0.926484D+00  0.440347D+01
      4  -0.108461D+02 -0.547770D+01 -0.516250D+01  0.716240D+01 -0.505304D+01
      5  -0.458593D+01 -0.477339D+01 -0.266565D+01 -0.870986D+00 -0.655006D+01
      6  -0.577311D+01 -0.288338D+01  0.569400D+01 -0.544536D+01 -0.944103D+01
                96            97            98            99           100 
      1   0.157561D+01  0.264274D+01 -0.342673D+01 -0.536899D+01 -0.107909D+02
      2  -0.643494D+01 -0.654366D+01 -0.470444D+01 -0.565334D+01  0.598913D+01
      3   0.485932D+01  0.390091D+01  0.813117D+01  0.110223D+02  0.480173D+01
      4  -0.642785D+01 -0.526638D+01 -0.963213D+01  0.150812D+02 -0.180593D+01
      5   0.149958D+02  0.146699D+02  0.153522D+02  0.806601D+01 -0.914839D+01
      6   0.661297D+01  0.564874D+01  0.147547D+02  0.416070D+01  0.521846D+00
               101           102           103           104           105 
      1  -0.847594D+00 -0.811501D+01  0.460840D+01 -0.207602D+02 -0.619473D+01
      2   0.763343D+00  0.413030D+01 -0.248817D+01  0.183903D+02  0.945753D+01
      3   0.842507D-01  0.398471D+01 -0.212024D+01  0.236992D+01 -0.326280D+01
      4   0.255928D+02  0.361098D+00 -0.223288D+02 -0.646819D+01 -0.360271D+01
      5   0.271654D+00  0.215940D+02 -0.106081D+02 -0.249969D+01 -0.128814D+01
      6   0.813362D+00  0.152505D+01 -0.312257D+01  0.373491D+01 -0.660884D+01
               106           107           108           109           110 
      1  -0.967481D+01 -0.662316D+01  0.143295D+02  0.288690D+01  0.230978D+02
      2   0.349247D+01  0.510830D+01 -0.184959D+02 -0.534071D+01 -0.132084D+02
      3   0.618234D+01  0.151485D+01  0.416640D+01  0.245381D+01 -0.988932D+01
      4  -0.113674D+02  0.940870D+00 -0.831306D+00  0.186661D+02  0.231973D+01
      5   0.360569D+02  0.205348D+00  0.633545D+01 -0.167932D+00  0.447824D+01
      6   0.755064D-01  0.620214D+01 -0.429349D+01  0.270991D+01 -0.241362D+01
               111           112           113           114           115 
      1   0.530322D+01 -0.270850D+02  0.585766D+01  0.159639D+01 -0.813383D+01
      2   0.708095D+00  0.270292D+02 -0.113045D+02 -0.172455D+01  0.876564D+01
      3  -0.601131D+01  0.558116D-01  0.544688D+01  0.128161D+00 -0.631803D+00
      4   0.513857D+01  0.608982D+01  0.129150D+02  0.894120D+01  0.236086D+01
      5   0.445391D+01 -0.312487D+01  0.795341D+01 -0.143488D+02  0.190613D+02
      6  -0.770220D+01  0.676080D+01 -0.574617D+01  0.746189D+01 -0.723477D+01
               116           117           118           119           120 
      1   0.650770D+01  0.588335D+00  0.694792D+01 -0.130048D+02  0.881639D-01
      2  -0.868606D+01 -0.714011D+01 -0.612594D+01  0.969763D+01 -0.246509D+01
      3   0.217836D+01  0.655177D+01 -0.821978D+00  0.330714D+01  0.237692D+01
      4   0.731228D+01 -0.155432D+02 -0.965868D+01 -0.197299D+02 -0.427043D+01
      5  -0.153023D+02 -0.782038D+01  0.611323D+00 -0.406618D+01 -0.502006D+01
      6   0.139592D+02 -0.733719D+00 -0.297678D+01 -0.291545D+01  0.672201D+01
               121           122           123           124           125 
      1   0.395305D+01  0.671274D+01  0.457175D+01  0.178649D+01  0.127841D+01
      2  -0.107151D+02 -0.100783D+02 -0.618509D+01 -0.423172D+01 -0.703955D+01
      3   0.676207D+01  0.336560D+01  0.161333D+01  0.244523D+01  0.576114D+01
      4   0.116180D+02 -0.134693D+02 -0.215142D+01  0.236408D+00 -0.475767D+01
      5  -0.141874D+00 -0.223211D+01 -0.721402D+00 -0.124899D+00 -0.546233D+01
      6  -0.547864D+01 -0.955139D+01  0.397850D+01  0.350939D+01  0.119851D+02
               126           127           128           129           130 
      1  -0.158793D+02 -0.429690D+01  0.776785D+01  0.841951D-01  0.881860D+01
      2   0.707074D+00  0.657201D+01 -0.110522D+02 -0.342311D+00 -0.120102D+02
      3   0.151722D+02 -0.227511D+01  0.328432D+01  0.258116D+00  0.319158D+01
      4  -0.641220D+01 -0.769453D+01  0.757995D+01  0.562474D+00  0.733156D+01
      5  -0.597547D+01 -0.503101D+00  0.830077D+00  0.948653D+00  0.907668D+00
      6   0.504076D+01 -0.202095D+00  0.108076D+00 -0.149086D+01 -0.950330D+00
               131           132           133           134           135 
      1  -0.256742D+02 -0.191628D+01  0.498308D+00 -0.162288D+01 -0.582720D+00
      2   0.350934D+02  0.164669D+01 -0.940731D+00  0.233559D+01  0.142147D+01
      3  -0.941923D+01  0.269589D+00  0.442424D+00 -0.712710D+00 -0.838749D+00
      4  -0.747545D+01 -0.454458D+00 -0.170646D-01 -0.664283D-02 -0.122911D+01
      5  -0.957093D+00 -0.992289D+00  0.329206D+00 -0.570896D+00 -0.638996D-02
      6   0.247961D+01  0.508009D+01 -0.350815D+00  0.140485D+01  0.182147D+00
               136           137           138           139           140 
      1   0.858119D+01  0.699653D+01  0.129460D+01  0.826850D+00 -0.102830D+02
      2   0.220818D+01  0.438098D+01  0.173726D+00  0.112725D+02  0.321740D+02
      3  -0.107894D+02 -0.113775D+02 -0.146833D+01 -0.120994D+02 -0.218910D+02
      4   0.230812D+02  0.265687D+02  0.552891D+01  0.281521D+02  0.485378D+02
      5   0.500703D+01  0.543178D+01  0.522695D+01  0.548703D+01  0.864323D+01
      6   0.379024D+01  0.427656D+01  0.307632D+01  0.538522D+01  0.109987D+02
               141           142           143           144           145 
      1  -0.200214D+01  0.113695D+01 -0.114976D+01 -0.726495D+00  0.102424D+03
      2   0.403638D+01  0.158665D+01  0.520673D+01  0.199038D+01 -0.588517D+02
      3  -0.203425D+01 -0.272360D+01 -0.405698D+01 -0.126389D+01 -0.435727D+02
      4   0.899202D+01  0.705203D+01  0.106545D+02  0.317791D+01  0.355903D+01
      5   0.550985D+01  0.220553D+01  0.266421D+01  0.187979D+01  0.133557D+02
      6   0.790893D+01  0.208610D+01  0.373769D+01  0.254959D+01 -0.202240D+01
               146           147           148           149           150 
      1   0.296835D+01  0.884743D+01  0.154601D+01  0.950708D+01  0.141877D+01
      2  -0.148479D+01 -0.603413D+01 -0.732862D+00 -0.473321D+01 -0.134051D+01
      3  -0.148356D+01 -0.281331D+01 -0.813146D+00 -0.477387D+01 -0.782638D-01
      4   0.827924D+01  0.154340D+00  0.152603D+02  0.111010D+01  0.140557D+01
      5   0.250554D+00  0.102399D+02  0.285421D+01  0.151835D+01  0.678927D+00
      6   0.559651D+00 -0.818467D-01  0.109683D+01 -0.182358D+00  0.174109D+01
               151           152           153           154           155 
      1   0.114875D+02  0.168419D+01  0.317683D+01  0.155828D+02 -0.107673D+02
      2  -0.679554D+01 -0.110255D+01 -0.181925D+01 -0.110574D+00 -0.350762D+01
      3  -0.469194D+01 -0.581638D+00 -0.135759D+01 -0.154722D+02  0.142749D+02
      4   0.293900D+01  0.121651D+01  0.601334D+00 -0.296705D+02  0.305058D+02
      5   0.273424D+01  0.406668D+00  0.207630D+01 -0.348767D+01  0.257810D+01
      6   0.801920D-01  0.589313D+00  0.445387D+00  0.109134D+01 -0.907851D+00
               156           157           158           159           160 
      1  -0.138478D+01 -0.550768D+01 -0.158854D+01 -0.925091D-01  0.653361D+00
      2   0.240308D+00 -0.966928D+01  0.241626D+02  0.135676D+01 -0.169319D+01
      3   0.114447D+01  0.151770D+02 -0.225740D+02 -0.126425D+01  0.103983D+01
      4   0.240014D+01  0.332941D+02 -0.485657D+02 -0.571259D+01  0.312169D+01
      5   0.477648D+01  0.457970D+01 -0.623492D+01 -0.491133D+01  0.166072D+01
      6  -0.257534D+01 -0.300855D+01  0.472668D+01  0.592011D+01 -0.129057D+01
               161           162           163           164           165 
      1  -0.135092D+01 -0.474763D+00 -0.493459D+01 -0.751088D+01 -0.297672D+01
      2   0.337161D+01  0.139376D+01  0.626173D+01  0.898150D+01  0.211013D+01
      3  -0.202069D+01 -0.918992D+00 -0.132714D+01 -0.147063D+01  0.866585D+00
      4  -0.518354D+01 -0.226061D+01  0.537571D+01  0.734886D+01  0.139272D+01
      5  -0.147321D+01 -0.583447D+00  0.567267D+00  0.100581D+01  0.184008D+01
      6   0.207160D+01  0.133515D+01  0.283006D+01  0.446444D+01  0.248612D+01
               166           167           168           169           170 
      1  -0.844237D+01 -0.291499D+02 -0.763394D+01 -0.226145D+01 -0.658233D+01
      2   0.105338D+02  0.372523D+02  0.688383D+01  0.261084D+01  0.768971D+01
      3  -0.209147D+01 -0.810241D+01  0.750109D+00 -0.349382D+00 -0.110738D+01
      4   0.582094D+01  0.262592D+01  0.172224D+00  0.168063D+01  0.128116D+01
      5   0.637408D+00 -0.474140D+00  0.530728D+00  0.105890D+01  0.648773D+00
      6   0.352843D+01  0.121425D+02  0.804707D+01  0.126497D+01  0.439268D+01
               171 
      1  -0.269659D+01
      2   0.294890D+01
      3  -0.252306D+00
      4   0.190505D+01
      5   0.115251D+01
      6   0.306385D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.104766D+00      0.266287D+00      0.888239D+00
   y         -0.325935D+00     -0.828443D+00     -0.276339D+01
   z          0.480616D+00      0.122160D+01      0.407484D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.119506D+03      0.177089D+02      0.197038D+02
   yx         0.175632D+01      0.260260D+00      0.289578D+00
   yy         0.999482D+02      0.148108D+02      0.164792D+02
   zx         0.210176D+01      0.311449D+00      0.346533D+00
   zy         0.558917D+01      0.828229D+00      0.921529D+00
   zz         0.641851D+02      0.951125D+01      0.105827D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104625D+03      0.155038D+02      0.172503D+02
   aniso      0.533481D+02      0.790538D+01      0.879592D+01
   xx         0.132200D+03      0.195900D+02      0.217968D+02
   yx         0.172697D+01      0.255911D+00      0.284739D+00
   yy         0.109340D+03      0.162025D+02      0.180277D+02
   zx         0.192291D+01      0.284946D+00      0.317045D+00
   zy         0.542010D+01      0.803176D+00      0.893654D+00
   zz         0.723350D+02      0.107189D+02      0.119264D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.99775529          1.19432156         -2.54785024
     6         -2.96411114         -0.74215330         -0.99283232
     1         -4.33250321          2.65268076         -1.50763863
     1         -3.05181771         -2.43675144         -2.17197577
     6         -4.60802811         -1.14637770          1.34515575
     6         -0.21358665         -0.27789808         -0.30537431
     1         -4.57418160          0.54216472          2.53648181
     1         -3.93046465         -2.72329608          2.48364071
     1         -6.55299941         -1.52640729          0.78048593
     6          1.00404160          1.96899421         -0.92199656
     6          3.51352111          2.36602440         -0.24278496
     6          4.84530803          0.51215967          1.04811616
     6          3.65296374         -1.75294723          1.64806687
     6          1.14840725         -2.13905386          0.97664321
     1         -0.00106860          3.39868869         -1.97952751
     1          4.42917452          4.12679065         -0.74015040
     1          6.79874916          0.81798480          1.57093540
     1          4.67862371         -3.22149310          2.63647280
     1          0.24742690         -3.91743790          1.44411145

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.590086D+00      0.149985D+01      0.500296D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.117051D+03      0.173451D+02      0.192991D+02
   yx         0.644850D+01      0.955570D+00      0.106321D+01
   yy         0.945139D+02      0.140055D+02      0.155832D+02
   zx         0.100571D+02      0.149031D+01      0.165820D+01
   zy        -0.133143D+02     -0.197297D+01     -0.219522D+01
   zz         0.720744D+02      0.106803D+02      0.118835D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104625D+03      0.155038D+02      0.172503D+02
   aniso      0.533481D+02      0.790538D+01      0.879592D+01
   xx         0.129654D+03      0.192128D+02      0.213771D+02
   yx         0.664614D+01      0.984856D+00      0.109580D+01
   yy         0.103367D+03      0.153175D+02      0.170430D+02
   zx         0.106670D+02      0.158068D+01      0.175874D+01
   zy        -0.139329D+02     -0.206465D+01     -0.229723D+01
   zz         0.808524D+02      0.119811D+02      0.133308D+02

 ----------------------------------------------------------------------
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 WHEN HAVING A MEETING OF THE MINDS,
 MAKE SURE YOU HAVE THE EQUIPMENT FOR IT.
 Job cpu time:       0 days  2 hours 16 minutes 51.9 seconds.
 Elapsed time:       0 days  0 hours 17 minutes 10.8 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:59:00 2021.
